data_[Ce2Er10Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5753]
_cell_length_b [13.1279]
_cell_length_c [7.5735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeEr5Sb6]
_chemical_formula_sum '[Ce2 Er10 Sb12]'
_cell_volume [710.2485]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.0000  1.0
  Er  Er1  4  0.0000  0.1647  0.5000  1.0
  Er  Er2  4  0.0000  0.3328  0.0000  1.0
  Er  Er3  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb4  8  0.2468  0.6686  0.7466  1.0
  Sb  Sb5  4  0.2460  0.5000  0.2509  1.0
]