data_[La1Ni4Bi3O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4586]
_cell_length_b [5.7117]
_cell_length_c [7.8964]
_cell_angle_alpha [92.1857]
_cell_angle_beta [90.8040]
_cell_angle_gamma [91.2711]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaNi4(BiO4)3]
_chemical_formula_sum '[La1 Ni4 Bi3 O12]'
_cell_volume [245.9266]
_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  0.9825  0.9426  0.7551  1.0
  Ni  Ni1  1  0.4986  0.0008  0.0014  1.0
  Ni  Ni2  1  0.5026  0.0028  0.4975  1.0
  Ni  Ni3  1  0.9956  0.4989  0.0010  1.0
  Ni  Ni4  1  0.9994  0.4991  0.4974  1.0
  Bi  Bi5  1  0.0081  0.0599  0.2247  1.0
  Bi  Bi6  1  0.4826  0.5642  0.2729  1.0
  Bi  Bi7  1  0.5103  0.4397  0.7183  1.0
  O  O8  1  0.1407  0.5351  0.7484  1.0
  O  O9  1  0.1759  0.8198  0.0413  1.0
  O  O10  1  0.2138  0.7774  0.4213  1.0
  O  O11  1  0.3094  0.3268  0.0885  1.0
  O  O12  1  0.3299  0.3171  0.4562  1.0
  O  O13  1  0.4078  0.0759  0.7564  1.0
  O  O14  1  0.6066  0.9246  0.2432  1.0
  O  O15  1  0.6808  0.6597  0.9147  1.0
  O  O16  1  0.6832  0.6957  0.5516  1.0
  O  O17  1  0.7890  0.2273  0.5800  1.0
  O  O18  1  0.8309  0.1661  0.9769  1.0
  O  O19  1  0.8525  0.4664  0.2531  1.0
]