data_[La28Bi4P20]
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 [Cmcm]
_cell_length_a [4.3240]
_cell_length_b [14.0937]
_cell_length_c [25.5204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La7BiP5]
_chemical_formula_sum '[La28 Bi4 P20]'
_cell_volume [1555.2239]
_cell_formula_units_Z [4]
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  0.0000  0.1361  0.0342  1
  La  La1  8  0.0000  0.3243  0.6700  1
  La  La2  8  0.0000  0.4096  0.1034  1
  La  La3  4  0.0000  0.0270  0.7500  1
  Bi  Bi4  4  0.0000  0.2976  0.2500  1
  P  P5  8  0.0000  0.0441  0.1427  1
  P  P6  8  0.0000  0.2273  0.5721  1
  P  P7  4  0.0000  0.5000  0.0000  1
]