data_[Yb4Cr4Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Cr  1.6600  1.4000  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.1063]
_cell_length_b [6.1653]
_cell_length_c [6.0635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [YbCrSb3]
_chemical_formula_sum '[Yb4 Cr4 Sb12]'
_cell_volume [489.9527]
_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
[
  Yb  Yb0  4  0.3095  0.5023  0.2500  1.0
  Cr  Cr1  4  0.0969  0.2500  0.0000  1.0
  Sb  Sb2  4  0.0640  0.6085  0.2500  1.0
  Sb  Sb3  4  0.2178  0.5041  0.7500  1.0
  Sb  Sb4  4  0.4975  0.2500  0.0000  1.0
]