data_[Pm12Co12Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Co  1.8800  1.3500  0.7683
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.6592]
_cell_length_b [14.0076]
_cell_length_c [7.6636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [PmCoSb]
_chemical_formula_sum '[Pm12 Co12 Sb12]'
_cell_volume [822.2042]
_cell_formula_units_Z [12]
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
[
  Pm  Pm0  8  0.0188  0.6472  0.4194  1
  Pm  Pm1  4  0.0000  0.0000  0.4947  1
  Co  Co2  8  0.1018  0.1706  0.2841  1
  Co  Co3  4  0.2500  0.0234  0.7921  1
  Sb  Sb4  4  0.2500  0.0270  0.1303  1
  Sb  Sb5  4  0.2500  0.1853  0.5987  1
  Sb  Sb6  4  0.2500  0.6683  0.7974  1
]