# generated using pymatgen
data_Mg(CrS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98017577
_cell_length_b   6.98017577
_cell_length_c   6.98017508
_cell_angle_alpha   59.79310428
_cell_angle_beta   59.79310428
_cell_angle_gamma   59.79310613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(CrS2)4
_chemical_formula_sum   'Mg1 Cr4 S8'
_cell_volume   239.35328577
_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
  Cr  Cr1  1  0.50000000  0.50000000  0.50000000  1.0
  Cr  Cr2  1  0.00000000  0.50000000  0.50000000  1.0
  Cr  Cr3  1  0.50000000  0.00000000  0.50000000  1.0
  Cr  Cr4  1  0.50000000  0.50000000  0.00000000  1.0
  S  S5  1  0.25769200  0.72803300  0.25769200  1.0
  S  S6  1  0.72803300  0.25769200  0.25769200  1.0
  S  S7  1  0.25769200  0.25769200  0.72803300  1.0
  S  S8  1  0.25847500  0.25847500  0.25847500  1.0
  S  S9  1  0.74152500  0.74152500  0.74152500  1.0
  S  S10  1  0.27196700  0.74230800  0.74230800  1.0
  S  S11  1  0.74230800  0.74230800  0.27196700  1.0
  S  S12  1  0.74230800  0.27196700  0.74230800  1.0