data_[Er14Bi4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.7919]
_cell_length_b [16.2752]
_cell_length_c [9.6912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Er7(BiIr)2]
_chemical_formula_sum '[Er14 Bi4 Ir4]'
_cell_volume [598.0838]
_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
[
  Er  Er0  4  0.0000  0.1533  0.7462  1
  Er  Er1  4  0.0000  0.1841  0.1016  1
  Er  Er2  4  0.0000  0.3674  0.8998  1
  Er  Er3  2  0.0000  0.5000  0.4655  1
  Bi  Bi4  2  0.0000  0.0000  0.2341  1
  Bi  Bi5  2  0.0000  0.5000  0.1404  1
  Ir  Ir6  4  0.0000  0.2599  0.4054  1
]