data_[Ca10Bi4H4]
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 [C2/m]
_cell_length_a [12.6060]
_cell_length_b [5.1908]
_cell_length_c [7.2610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca5(BiH)2]
_chemical_formula_sum '[Ca10 Bi4 H4]'
_cell_volume [465.5191]
_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  4  0.1493  0.0000  0.5490  1
  Ca  Ca1  4  0.1767  0.5000  0.8807  1
  Ca  Ca2  2  0.0000  0.0000  0.0000  1
  Bi  Bi3  4  0.0891  0.5000  0.2870  1
  H  H4  4  0.1612  0.0000  0.8848  1
]