data_[Er20Ge8Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.0169]
_cell_length_b [7.8461]
_cell_length_c [7.8771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Er5(GeSb)2]
_chemical_formula_sum '[Er20 Ge8 Sb8]'
_cell_volume [928.1069]
_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  16  0.1280  0.1646  0.3360  1.0
  Er  Er1  4  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  8  0.0000  0.1388  0.6377  1.0
  Sb  Sb3  8  0.2049  0.0000  0.0000  1.0
]