data_[Zr12Co4Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.5220]
_cell_length_b [3.9697]
_cell_length_c [11.0329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Zr3CoSb2]
_chemical_formula_sum '[Zr12 Co4 Sb8]'
_cell_volume [504.6339]
_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
[
  Zr  Zr0  4  0.0545  0.2500  0.3855  1
  Zr  Zr1  4  0.1194  0.7500  0.9556  1
  Zr  Zr2  4  0.2446  0.2500  0.7294  1
  Co  Co3  4  0.1193  0.2500  0.1333  1
  Sb  Sb4  4  0.0007  0.2500  0.8016  1
  Sb  Sb5  4  0.1910  0.7500  0.5155  1
]