data_[La3Ho1Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.7164]
_cell_length_b [4.7164]
_cell_length_c [9.1318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [La3HoBi2]
_chemical_formula_sum '[La3 Ho1 Bi2]'
_cell_volume [203.1276]
_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
[
  La  La0  2  0.0000  0.5000  0.6480  1
  La  La1  1  0.0000  0.0000  0.0000  1
  Ho  Ho2  1  0.5000  0.5000  0.0000  1
  Bi  Bi3  2  0.0000  0.5000  0.2762  1
]