data_[Er24In4Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [11.5915]
_cell_length_b [11.3234]
_cell_length_c [8.3915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er6InSb3]
_chemical_formula_sum '[Er24 In4 Sb12]'
_cell_volume [1101.4298]
_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  0.1601  0.5007  1.0
  Er  Er1  8  0.1603  0.5000  0.0000  1.0
  Er  Er2  8  0.2491  0.2524  0.7500  1.0
  In  In3  4  0.0000  0.3566  0.7500  1.0
  Sb  Sb4  8  0.1449  0.0020  0.7500  1.0
  Sb  Sb5  4  0.0000  0.3605  0.2500  1.0
]