# generated using pymatgen
data_Mn2SiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.74021977
_cell_length_b   7.45596356
_cell_length_c   5.94295202
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SiS4
_chemical_formula_sum   'Mn8 Si4 S16'
_cell_volume   564.52466344
_cell_formula_units_Z   4
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  0.00786000  0.75000000  0.73145500  1
  Mn  Mn1  1  0.50786000  0.25000000  0.76854500  1
  Mn  Mn2  1  0.99214000  0.25000000  0.26854500  1
  Mn  Mn3  1  0.49214000  0.75000000  0.23145500  1
  Mn  Mn4  1  0.50000000  0.50000000  0.50000000  1
  Mn  Mn5  1  0.00000000  0.50000000  0.00000000  1
  Mn  Mn6  1  0.50000000  0.00000000  0.50000000  1
  Mn  Mn7  1  0.00000000  0.00000000  0.00000000  1
  Si  Si8  1  0.40813500  0.25000000  0.08996600  1
  Si  Si9  1  0.59186500  0.75000000  0.91003400  1
  Si  Si10  1  0.09186500  0.25000000  0.58996600  1
  Si  Si11  1  0.90813500  0.75000000  0.41003400  1
  S  S12  1  0.74623400  0.52395400  0.83311500  1
  S  S13  1  0.24623400  0.47604600  0.66688500  1
  S  S14  1  0.25376600  0.02395400  0.16688500  1
  S  S15  1  0.75376600  0.97604600  0.33311500  1
  S  S16  1  0.24623400  0.02395400  0.66688500  1
  S  S17  1  0.25376600  0.47604600  0.16688500  1
  S  S18  1  0.74623400  0.97604600  0.83311500  1
  S  S19  1  0.75376600  0.52395400  0.33311500  1
  S  S20  1  0.26548700  0.75000000  0.40740800  1
  S  S21  1  0.76548700  0.25000000  0.09259200  1
  S  S22  1  0.73451300  0.25000000  0.59259200  1
  S  S23  1  0.23451300  0.75000000  0.90740800  1
  S  S24  1  0.76279900  0.75000000  0.56528900  1
  S  S25  1  0.26279900  0.25000000  0.93471100  1
  S  S26  1  0.23720100  0.25000000  0.43471100  1
  S  S27  1  0.73720100  0.75000000  0.06528900  1
