# generated using pymatgen
data_Mn3Cu2NiS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90461121
_cell_length_b   6.90461109
_cell_length_c   6.90461069
_cell_angle_alpha   59.94328799
_cell_angle_beta   59.94328401
_cell_angle_gamma   59.94327927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Cu2NiS8
_chemical_formula_sum   'Mn3 Cu2 Ni1 S8'
_cell_volume   232.45753677
_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  0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn1  1  0.50000000  0.50000000  0.00000000  1.0
  Mn  Mn2  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu3  1  0.12098579  0.12098579  0.12098579  1.0
  Cu  Cu4  1  0.87901421  0.87901421  0.87901421  1.0
  Ni  Ni5  1  0.50000000  0.50000000  0.50000000  1.0
  S  S6  1  0.25576123  0.25576123  0.25576123  1.0
  S  S7  1  0.72209415  0.25892859  0.25892859  1.0
  S  S8  1  0.25892859  0.25892859  0.72209415  1.0
  S  S9  1  0.25892859  0.72209415  0.25892859  1.0
  S  S10  1  0.74423877  0.74423877  0.74423877  1.0
  S  S11  1  0.27790585  0.74107141  0.74107141  1.0
  S  S12  1  0.74107141  0.74107141  0.27790585  1.0
  S  S13  1  0.74107141  0.27790585  0.74107141  1.0