# generated using pymatgen
data_MnCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96680496
_cell_length_b   6.96680532
_cell_length_c   6.96680413
_cell_angle_alpha   59.84318198
_cell_angle_beta   59.84318378
_cell_angle_gamma   59.84317016
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr3(CuS4)2
_chemical_formula_sum   'Mn1 Cr3 Cu2 S8'
_cell_volume   238.25252264
_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
  Mn  Mn0  1  0.50000000  0.50000000  0.50000000  1.0
  Cr  Cr1  1  0.00000000  0.50000000  0.50000000  1.0
  Cr  Cr2  1  0.50000000  0.50000000  0.00000000  1.0
  Cr  Cr3  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu4  1  0.12673964  0.12673964  0.12673964  1.0
  Cu  Cu5  1  0.87326036  0.87326036  0.87326036  1.0
  S  S6  1  0.25811754  0.25811754  0.25811754  1.0
  S  S7  1  0.72781770  0.25818829  0.25818829  1.0
  S  S8  1  0.25818829  0.25818829  0.72781770  1.0
  S  S9  1  0.25818829  0.72781770  0.25818829  1.0
  S  S10  1  0.74188246  0.74188246  0.74188246  1.0
  S  S11  1  0.27218230  0.74181171  0.74181171  1.0
  S  S12  1  0.74181171  0.74181171  0.27218230  1.0
  S  S13  1  0.74181171  0.27218230  0.74181171  1.0