data_[Ce5Bi2H1Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5050]
_cell_length_b [4.5050]
_cell_length_c [11.8620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ce5Bi2HIr]
_chemical_formula_sum '[Ce5 Bi2 H1 Ir1]'
_cell_volume [240.7437]
_cell_formula_units_Z [1]
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  0.2190  1
  Ce  Ce1  2  0.0000  0.5000  0.5000  1
  Ce  Ce2  1  0.5000  0.5000  0.0000  1
  Bi  Bi3  2  0.5000  0.5000  0.2896  1
  Ir  Ir4  1  0.0000  0.0000  0.0000  1
  H  H5  1  0.0000  0.0000  0.5000  1
]