data_[Li2Ho2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.5129]
_cell_length_b [4.5129]
_cell_length_c [10.2970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [LiHoBi2]
_chemical_formula_sum '[Li2 Ho2 Bi4]'
_cell_volume [209.7061]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1.0
  Ho  Ho1  2  0.0000  0.5000  0.2607  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi3  2  0.0000  0.5000  0.8287  1.0
]