data_[Mg4Zn4Co16S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.7231]
_cell_length_b [9.7231]
_cell_length_c [9.7231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [MgZn(CoS2)4]
_chemical_formula_sum '[Mg4 Zn4 Co16 S32]'
_cell_volume [919.2208]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.5000  1.0
  Zn  Zn1  4  0.2500  0.2500  0.2500  1.0
  Co  Co2  16  0.1250  0.1250  0.8750  1.0
  S  S3  16  0.1092  0.1092  0.1092  1.0
  S  S4  16  0.1433  0.1433  0.6433  1.0
]