data_[Ca2Np2Bi4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Np  1.3600  1.7500  1.0000
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8532]
_cell_length_b [6.2809]
_cell_length_c [10.2987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaNp(BiO3)2]
_chemical_formula_sum '[Ca2 Np2 Bi4 O12]'
_cell_volume [313.5444]
_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
[
  Ca  Ca0  2  0.5000  0.0000  0.0000  1
  Np  Np1  2  0.0000  0.0000  0.5000  1
  Bi  Bi2  4  0.2639  0.0344  0.2529  1
  O  O3  4  0.0934  0.0614  0.7424  1
  O  O4  4  0.2294  0.6924  0.5737  1
  O  O5  4  0.3862  0.1693  0.5627  1
]