# generated using pymatgen
data_Mg(MnS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94905265
_cell_length_b   6.94905265
_cell_length_c   7.22518284
_cell_angle_alpha   60.06112029
_cell_angle_beta   60.06112029
_cell_angle_gamma   59.92793559
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(MnS2)2
_chemical_formula_sum   'Mg2 Mn4 S8'
_cell_volume   246.80168757
_cell_formula_units_Z   2
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
  Mg  Mg1  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn2  1  0.50000000  0.00000000  0.50000000  1.0
  Mn  Mn3  1  0.50000000  0.50000000  0.00000000  1.0
  Mn  Mn4  1  0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn5  1  0.50000000  0.50000000  0.50000000  1.0
  S  S6  1  0.26034400  0.26034400  0.71223700  1.0
  S  S7  1  0.72823300  0.25166600  0.27077100  1.0
  S  S8  1  0.25457400  0.25457400  0.27131000  1.0
  S  S9  1  0.74833400  0.27176700  0.72922900  1.0
  S  S10  1  0.74542600  0.74542600  0.72869000  1.0
  S  S11  1  0.27176700  0.74833400  0.72922900  1.0
  S  S12  1  0.25166600  0.72823300  0.27077100  1.0
  S  S13  1  0.73965600  0.73965600  0.28776300  1.0