# generated using pymatgen
data_MgCo4(NiS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90263497
_cell_length_b   6.90263543
_cell_length_c   6.90263417
_cell_angle_alpha   56.93737985
_cell_angle_beta   56.93737387
_cell_angle_gamma   56.93738138
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo4(NiS4)2
_chemical_formula_sum   'Mg1 Co4 Ni2 S8'
_cell_volume   216.12958362
_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
  Co  Co1  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co2  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co3  1  0.50000000  0.00000000  0.50000000  1.0
  Co  Co4  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni5  1  0.86112100  0.86112100  0.86112100  1.0
  Ni  Ni6  1  0.13887900  0.13887900  0.13887900  1.0
  S  S7  1  0.73627500  0.73627500  0.73627500  1.0
  S  S8  1  0.26441800  0.26441800  0.71915600  1.0
  S  S9  1  0.26441800  0.71915600  0.26441800  1.0
  S  S10  1  0.71915600  0.26441800  0.26441800  1.0
  S  S11  1  0.73558200  0.28084400  0.73558200  1.0
  S  S12  1  0.28084400  0.73558200  0.73558200  1.0
  S  S13  1  0.26372500  0.26372500  0.26372500  1.0
  S  S14  1  0.73558200  0.73558200  0.28084400  1.0