# generated using pymatgen
data_MgCo4(NiS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98404631
_cell_length_b   6.97948158
_cell_length_c   6.98404614
_cell_angle_alpha   60.02161519
_cell_angle_beta   60.13903704
_cell_angle_gamma   60.02162227
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo4(NiS4)2
_chemical_formula_sum   'Mg1 Co4 Ni2 S8'
_cell_volume   241.05646321
_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  0.62317900  0.62682100  0.62317900  1.0
  Co  Co1  1  0.48359100  0.48154000  0.48359100  1.0
  Co  Co2  1  0.48452900  0.48392300  0.04762400  1.0
  Co  Co3  1  0.48359100  0.05127900  0.48359100  1.0
  Co  Co4  1  0.04762400  0.48392300  0.48452900  1.0
  Ni  Ni5  1  0.87452000  0.87548000  0.87452000  1.0
  Ni  Ni6  1  0.12485700  0.12514300  0.12485700  1.0
  S  S7  1  0.75232200  0.75236900  0.75232200  1.0
  S  S8  1  0.25770900  0.25912100  0.72404900  1.0
  S  S9  1  0.25868800  0.72264700  0.25868800  1.0
  S  S10  1  0.72404900  0.25912100  0.25770900  1.0
  S  S11  1  0.75232200  0.24298600  0.75232200  1.0
  S  S12  1  0.24062800  0.75283500  0.75370300  1.0
  S  S13  1  0.25868800  0.25997700  0.25868800  1.0
  S  S14  1  0.75370300  0.75283500  0.24062800  1.0