# generated using pymatgen
data_Mg(MnS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97798060
_cell_length_b   6.97798060
_cell_length_c   6.97798132
_cell_angle_alpha   59.55529380
_cell_angle_beta   59.55529380
_cell_angle_gamma   59.55529321
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(MnS2)4
_chemical_formula_sum   'Mg1 Mn4 S8'
_cell_volume   237.82695442
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn1  1  0.50000000  0.50000000  0.50000000  1.0
  Mn  Mn2  1  0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn3  1  0.50000000  0.00000000  0.50000000  1.0
  Mn  Mn4  1  0.50000000  0.50000000  0.00000000  1.0
  S  S5  1  0.25602600  0.72434500  0.25602600  1.0
  S  S6  1  0.72434500  0.25602600  0.25602600  1.0
  S  S7  1  0.25602600  0.25602600  0.72434500  1.0
  S  S8  1  0.25948100  0.25948100  0.25948100  1.0
  S  S9  1  0.74051900  0.74051900  0.74051900  1.0
  S  S10  1  0.27565500  0.74397400  0.74397400  1.0
  S  S11  1  0.74397400  0.74397400  0.27565500  1.0
  S  S12  1  0.74397400  0.27565500  0.74397400  1.0