# generated using pymatgen
data_Mn(GaS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.84520544
_cell_length_b   22.76450109
_cell_length_c   6.43603419
_cell_angle_alpha   90.00000000
_cell_angle_beta   108.52726405
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(GaS2)2
_chemical_formula_sum   'Mn12 Ga24 S48'
_cell_volume   1784.45218819
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.00000000  0.21836000  0.25000000  1
  Mn  Mn1  1  0.50000000  0.37254900  0.25000000  1
  Mn  Mn2  1  0.50000000  0.28164000  0.75000000  1
  Mn  Mn3  1  0.50000000  0.45741300  0.75000000  1
  Mn  Mn4  1  0.00000000  0.04258700  0.25000000  1
  Mn  Mn5  1  0.00000000  0.12745100  0.75000000  1
  Mn  Mn6  1  0.50000000  0.71836000  0.25000000  1
  Mn  Mn7  1  0.00000000  0.87254900  0.25000000  1
  Mn  Mn8  1  0.00000000  0.78164000  0.75000000  1
  Mn  Mn9  1  0.00000000  0.95741300  0.75000000  1
  Mn  Mn10  1  0.50000000  0.54258700  0.25000000  1
  Mn  Mn11  1  0.50000000  0.62745100  0.75000000  1
  Ga  Ga12  1  0.20951600  0.46057200  0.88069400  1
  Ga  Ga13  1  0.70779900  0.12671500  0.88056800  1
  Ga  Ga14  1  0.29220100  0.12671500  0.61943200  1
  Ga  Ga15  1  0.29048400  0.03942800  0.11930600  1
  Ga  Ga16  1  0.68511500  0.20171500  0.35019900  1
  Ga  Ga17  1  0.79048400  0.46057200  0.61930600  1
  Ga  Ga18  1  0.81488500  0.29828500  0.64980100  1
  Ga  Ga19  1  0.31488500  0.20171500  0.14980100  1
  Ga  Ga20  1  0.18511500  0.29828500  0.85019900  1
  Ga  Ga21  1  0.79220100  0.37328500  0.11943200  1
  Ga  Ga22  1  0.20779900  0.37328500  0.38056800  1
  Ga  Ga23  1  0.70951600  0.03942800  0.38069400  1
  Ga  Ga24  1  0.70951600  0.96057200  0.88069400  1
  Ga  Ga25  1  0.20779900  0.62671500  0.88056800  1
  Ga  Ga26  1  0.79220100  0.62671500  0.61943200  1
  Ga  Ga27  1  0.79048400  0.53942800  0.11930600  1
  Ga  Ga28  1  0.18511500  0.70171500  0.35019900  1
  Ga  Ga29  1  0.29048400  0.96057200  0.61930600  1
  Ga  Ga30  1  0.31488500  0.79828500  0.64980100  1
  Ga  Ga31  1  0.81488500  0.70171500  0.14980100  1
  Ga  Ga32  1  0.68511500  0.79828500  0.85019900  1
  Ga  Ga33  1  0.29220100  0.87328500  0.11943200  1
  Ga  Ga34  1  0.70779900  0.87328500  0.38056800  1
  Ga  Ga35  1  0.20951600  0.53942800  0.38069400  1
  S  S36  1  0.62631800  0.11921600  0.49791400  1
  S  S37  1  0.87368200  0.38078400  0.50208600  1
  S  S38  1  0.11364600  0.30203500  0.48370400  1
  S  S39  1  0.10413500  0.04491800  0.97751400  1
  S  S40  1  0.13067200  0.46041700  0.49607600  1
  S  S41  1  0.60413500  0.45508200  0.47751400  1
  S  S42  1  0.12631800  0.38078400  0.99791400  1
  S  S43  1  0.10675100  0.13305300  0.47655600  1
  S  S44  1  0.86932800  0.46041700  0.00392400  1
  S  S45  1  0.37368200  0.11921600  0.00208600  1
  S  S46  1  0.62546500  0.28469300  0.49191300  1
  S  S47  1  0.89586500  0.04491800  0.52248600  1
  S  S48  1  0.87453500  0.21530700  0.50808700  1
  S  S49  1  0.36932800  0.03958300  0.50392400  1
  S  S50  1  0.39586500  0.45508200  0.02248600  1
  S  S51  1  0.12546500  0.21530700  0.99191300  1
  S  S52  1  0.38635400  0.19796500  0.51629600  1
  S  S53  1  0.60675100  0.36694700  0.97655600  1
  S  S54  1  0.61364600  0.19796500  0.98370400  1
  S  S55  1  0.89324900  0.13305300  0.02344400  1
  S  S56  1  0.39324900  0.36694700  0.52344400  1
  S  S57  1  0.37453500  0.28469300  0.00808700  1
  S  S58  1  0.63067200  0.03958300  0.99607600  1
  S  S59  1  0.88635400  0.30203500  0.01629600  1
  S  S60  1  0.12631800  0.61921600  0.49791400  1
  S  S61  1  0.37368200  0.88078400  0.50208600  1
  S  S62  1  0.61364600  0.80203500  0.48370400  1
  S  S63  1  0.60413500  0.54491800  0.97751400  1
  S  S64  1  0.63067200  0.96041700  0.49607600  1
  S  S65  1  0.10413500  0.95508200  0.47751400  1
  S  S66  1  0.62631800  0.88078400  0.99791400  1
  S  S67  1  0.60675100  0.63305300  0.47655600  1
  S  S68  1  0.36932800  0.96041700  0.00392400  1
  S  S69  1  0.87368200  0.61921600  0.00208600  1
  S  S70  1  0.12546500  0.78469300  0.49191300  1
  S  S71  1  0.39586500  0.54491800  0.52248600  1
  S  S72  1  0.37453500  0.71530700  0.50808700  1
  S  S73  1  0.86932800  0.53958300  0.50392400  1
  S  S74  1  0.89586500  0.95508200  0.02248600  1
  S  S75  1  0.62546500  0.71530700  0.99191300  1
  S  S76  1  0.88635400  0.69796500  0.51629600  1
  S  S77  1  0.10675100  0.86694700  0.97655600  1
  S  S78  1  0.11364600  0.69796500  0.98370400  1
  S  S79  1  0.39324900  0.63305300  0.02344400  1
  S  S80  1  0.89324900  0.86694700  0.52344400  1
  S  S81  1  0.87453500  0.78469300  0.00808700  1
  S  S82  1  0.13067200  0.53958300  0.99607600  1
  S  S83  1  0.38635400  0.80203500  0.01629600  1
