data_[Zr4Co2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3542]
_cell_length_b [3.6518]
_cell_length_c [6.3047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zr2CoS4]
_chemical_formula_sum '[Zr4 Co2 S8]'
_cell_volume [271.7699]
_cell_formula_units_Z [2]
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
[
  Zr  Zr0  2  0.4974  0.5000  0.0055  1.0
  Zr  Zr1  2  0.4998  0.0000  0.4956  1.0
  Co  Co2  2  0.3234  0.0000  0.9914  1.0
  S  S3  2  0.1266  0.5000  0.2938  1.0
  S  S4  2  0.1275  0.0000  0.7901  1.0
  S  S5  2  0.3640  0.5000  0.2011  1.0
  S  S6  2  0.3719  0.0000  0.6992  1.0
]