# generated using pymatgen
data_MnGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.77864159
_cell_length_b   12.77864159
_cell_length_c   8.09807208
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGa
_chemical_formula_sum   'Mn39 Ga39'
_cell_volume   1145.20081534
_cell_formula_units_Z   39
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  0.78491200  0.56982400  0.40274800  1
  Mn  Mn1  1  0.07317000  0.92683000  0.75012300  1
  Mn  Mn2  1  0.07317000  0.14634000  0.75012300  1
  Mn  Mn3  1  0.21508800  0.78491200  0.59725200  1
  Mn  Mn4  1  0.92683000  0.07317000  0.24987700  1
  Mn  Mn5  1  0.92683000  0.85366000  0.24987700  1
  Mn  Mn6  1  0.43017600  0.21508800  0.40274800  1
  Mn  Mn7  1  0.56982400  0.78491200  0.59725200  1
  Mn  Mn8  1  0.78491200  0.21508800  0.40274800  1
  Mn  Mn9  1  0.21508800  0.43017600  0.59725200  1
  Mn  Mn10  1  0.85366000  0.92683000  0.75012300  1
  Mn  Mn11  1  0.14634000  0.07317000  0.24987700  1
  Mn  Mn12  1  0.00000000  0.00000000  0.50000000  1
  Mn  Mn13  1  0.45157800  0.90315700  0.73608100  1
  Mn  Mn14  1  0.73983700  0.26016300  0.08345600  1
  Mn  Mn15  1  0.73983700  0.47967300  0.08345600  1
  Mn  Mn16  1  0.88175500  0.11824500  0.93058600  1
  Mn  Mn17  1  0.59349700  0.40650300  0.58321000  1
  Mn  Mn18  1  0.59349700  0.18699300  0.58321000  1
  Mn  Mn19  1  0.09684300  0.54842200  0.73608100  1
  Mn  Mn20  1  0.23649000  0.11824500  0.93058600  1
  Mn  Mn21  1  0.45157800  0.54842200  0.73608100  1
  Mn  Mn22  1  0.88175500  0.76351000  0.93058600  1
  Mn  Mn23  1  0.52032700  0.26016300  0.08345600  1
  Mn  Mn24  1  0.81300700  0.40650300  0.58321000  1
  Mn  Mn25  1  0.66666700  0.33333300  0.83333300  1
  Mn  Mn26  1  0.11824500  0.23649000  0.06941400  1
  Mn  Mn27  1  0.40650300  0.59349700  0.41679000  1
  Mn  Mn28  1  0.40650300  0.81300700  0.41679000  1
  Mn  Mn29  1  0.54842200  0.45157800  0.26391900  1
  Mn  Mn30  1  0.26016300  0.73983700  0.91654400  1
  Mn  Mn31  1  0.26016300  0.52032700  0.91654400  1
  Mn  Mn32  1  0.76351000  0.88175500  0.06941400  1
  Mn  Mn33  1  0.90315700  0.45157800  0.26391900  1
  Mn  Mn34  1  0.11824500  0.88175500  0.06941400  1
  Mn  Mn35  1  0.54842200  0.09684300  0.26391900  1
  Mn  Mn36  1  0.18699300  0.59349700  0.41679000  1
  Mn  Mn37  1  0.47967300  0.73983700  0.91654400  1
  Mn  Mn38  1  0.33333300  0.66666700  0.16666700  1
  Ga  Ga39  1  0.11619000  0.88381000  0.42410300  1
  Ga  Ga40  1  0.62104900  0.00000000  0.50000000  1
  Ga  Ga41  1  0.62104900  0.62104900  0.50000000  1
  Ga  Ga42  1  0.37895100  0.00000000  0.50000000  1
  Ga  Ga43  1  0.11619000  0.23238000  0.42410300  1
  Ga  Ga44  1  0.88381000  0.11619000  0.57589700  1
  Ga  Ga45  1  0.00000000  0.37895100  0.50000000  1
  Ga  Ga46  1  0.76762000  0.88381000  0.42410300  1
  Ga  Ga47  1  0.00000000  0.62104900  0.50000000  1
  Ga  Ga48  1  0.88381000  0.76762000  0.57589700  1
  Ga  Ga49  1  0.23238000  0.11619000  0.57589700  1
  Ga  Ga50  1  0.33333300  0.66666700  0.66666700  1
  Ga  Ga51  1  0.37895100  0.37895100  0.50000000  1
  Ga  Ga52  1  0.78285700  0.21714300  0.75743600  1
  Ga  Ga53  1  0.28771500  0.33333300  0.83333300  1
  Ga  Ga54  1  0.28771500  0.95438200  0.83333300  1
  Ga  Ga55  1  0.04561800  0.33333300  0.83333300  1
  Ga  Ga56  1  0.78285700  0.56571400  0.75743600  1
  Ga  Ga57  1  0.55047600  0.44952400  0.90923100  1
  Ga  Ga58  1  0.66666700  0.71228500  0.83333300  1
  Ga  Ga59  1  0.43428600  0.21714300  0.75743600  1
  Ga  Ga60  1  0.66666700  0.95438200  0.83333300  1
  Ga  Ga61  1  0.55047600  0.10095300  0.90923100  1
  Ga  Ga62  1  0.89904700  0.44952400  0.90923100  1
  Ga  Ga63  1  0.00000000  0.00000000  0.00000000  1
  Ga  Ga64  1  0.04561800  0.71228500  0.83333300  1
  Ga  Ga65  1  0.44952400  0.55047600  0.09076900  1
  Ga  Ga66  1  0.95438200  0.66666700  0.16666700  1
  Ga  Ga67  1  0.95438200  0.28771500  0.16666700  1
  Ga  Ga68  1  0.71228500  0.66666700  0.16666700  1
  Ga  Ga69  1  0.44952400  0.89904700  0.09076900  1
  Ga  Ga70  1  0.21714300  0.78285700  0.24256400  1
  Ga  Ga71  1  0.33333300  0.04561800  0.16666700  1
  Ga  Ga72  1  0.10095300  0.55047600  0.09076900  1
  Ga  Ga73  1  0.33333300  0.28771500  0.16666700  1
  Ga  Ga74  1  0.21714300  0.43428600  0.24256400  1
  Ga  Ga75  1  0.56571400  0.78285700  0.24256400  1
  Ga  Ga76  1  0.66666700  0.33333300  0.33333300  1
  Ga  Ga77  1  0.71228500  0.04561800  0.16666700  1
