data_[Ca16Bi8H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2074]
_cell_length_b [7.0307]
_cell_length_c [12.2377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ca4Bi2H]
_chemical_formula_sum '[Ca16 Bi8 H4]'
_cell_volume [792.2055]
_cell_formula_units_Z [4]
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  8  0.1836  0.0014  0.3410  1
  Ca  Ca1  4  0.0310  0.7500  0.0936  1
  Ca  Ca2  4  0.1699  0.7500  0.5912  1
  Bi  Bi3  4  0.0089  0.7500  0.8324  1
  Bi  Bi4  4  0.1179  0.2500  0.5994  1
  H  H5  4  0.2151  0.2500  0.9257  1
]