data_[La4Bi2O9]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8609]
_cell_length_b [5.8842]
_cell_length_c [9.2963]
_cell_angle_alpha [72.1109]
_cell_angle_beta [84.6197]
_cell_angle_gamma [87.1572]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La4Bi2O9]
_chemical_formula_sum '[La4 Bi2 O9]'
_cell_volume [303.6813]
_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  1  0.0173  0.6434  0.7060  1.0
  La  La1  1  0.4515  0.1205  0.7245  1.0
  La  La2  1  0.4676  0.4862  0.9984  1.0
  La  La3  1  0.5076  0.8093  0.3628  1.0
  Bi  Bi4  1  0.0881  0.3673  0.4015  1.0
  Bi  Bi5  1  0.9166  0.0237  0.9777  1.0
  O  O6  1  0.2144  0.3048  0.8827  1.0
  O  O7  1  0.2221  0.8095  0.8567  1.0
  O  O8  1  0.2875  0.4717  0.5503  1.0
  O  O9  1  0.2926  0.0044  0.5169  1.0
  O  O10  1  0.3231  0.5769  0.2264  1.0
  O  O11  1  0.6338  0.1101  0.1470  1.0
  O  O12  1  0.7223  0.8094  0.8608  1.0
  O  O13  1  0.7437  0.3182  0.8193  1.0
  O  O14  1  0.8408  0.6419  0.4644  1.0
]