data_[Er20Th4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0776]
_cell_length_b [12.0441]
_cell_length_c [19.1908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er5ThSb2]
_chemical_formula_sum '[Er20 Th4 Sb8]'
_cell_volume [942.4855]
_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
[
  Er  Er0  8  0.0000  0.0459  0.1157  1
  Er  Er1  8  0.0000  0.3634  0.0233  1
  Er  Er2  4  0.0000  0.3957  0.7500  1
  Th  Th3  4  0.0000  0.3331  0.2500  1
  Sb  Sb4  8  0.0000  0.2410  0.6236  1
]