data_[La2Bi2P4]
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 [P1]
_cell_length_a [5.8849]
_cell_length_b [6.0032]
_cell_length_c [18.7539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.4319]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaBiP2]
_chemical_formula_sum '[La2 Bi2 P4]'
_cell_volume [662.5175]
_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  1  0.1304  0.6491  0.5551  1
  La  La1  1  0.6290  0.1545  0.5628  1
  Bi  Bi2  1  0.1267  0.1142  0.4323  1
  Bi  Bi3  1  0.9416  0.5821  0.3903  1
  P  P4  1  0.1297  0.1539  0.5771  1
  P  P5  1  0.5792  0.6763  0.4716  1
  P  P6  1  0.5986  0.0092  0.4203  1
  P  P7  1  0.6347  0.6678  0.5905  1
]