data_[La10Bi8P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.3177]
_cell_length_b [10.3177]
_cell_length_c [6.5565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [La5Bi4P]
_chemical_formula_sum '[La10 Bi8 P2]'
_cell_volume [697.9673]
_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
[
  La  La0  8  0.0956  0.2820  0.5000  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi2  8  0.0938  0.3024  0.0000  1.0
  P  P3  2  0.0000  0.0000  0.5000  1.0
]