data_[La15Er9Bi24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.2317]
_cell_length_b [9.2317]
_cell_length_c [22.5472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La5Er3Bi8]
_chemical_formula_sum '[La15 Er9 Bi24]'
_cell_volume [1664.1235]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1
  La  La1  3  -0.0000  -0.0000  0.5000  1
  La  La2  3  0.0000  0.0000  0.0000  1
  Er  Er3  9  0.0000  0.5000  0.5000  1
  Bi  Bi4  18  0.0066  0.5033  0.7533  1
  Bi  Bi5  6  0.0000  0.0000  0.2451  1
]