data_[Ca2Np1Pa1Bi4]
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
  Pa  1.5000  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8977]
_cell_length_b [4.5694]
_cell_length_c [7.9067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2NpPaBi4]
_chemical_formula_sum '[Ca2 Np1 Pa1 Bi4]'
_cell_volume [268.9574]
_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
[
  Ca  Ca0  1  0.0000  0.5000  0.5000  1
  Ca  Ca1  1  0.5000  0.0000  0.5000  1
  Np  Np2  1  0.0000  0.0000  0.0000  1
  Pa  Pa3  1  0.5000  0.5000  0.0000  1
  Bi  Bi4  2  0.2513  0.5000  0.2381  1
  Bi  Bi5  2  0.2598  0.0000  0.7627  1
]