data_[Zr14Ga2Bi4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  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 [6.0988]
_cell_length_b [6.0932]
_cell_length_c [12.8319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr7Ga(BiH)2]
_chemical_formula_sum '[Zr14 Ga2 Bi4 H4]'
_cell_volume [467.3307]
_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
[
  Zr  Zr0  8  0.1766  0.2508  0.8225  1.0
  Zr  Zr1  4  0.1619  0.5000  0.4053  1.0
  Zr  Zr2  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  4  0.1482  0.0000  0.3601  1.0
  H  H5  4  0.0691  0.5000  0.1673  1.0
]