data_[Zr24Ga12H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.7968]
_cell_length_b [12.8630]
_cell_length_c [5.4867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Zr6Ga3H]
_chemical_formula_sum '[Zr24 Ga12 H4]'
_cell_volume [761.9904]
_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
[
  Zr  Zr0  8  0.1790  0.2919  0.2300  1
  Zr  Zr1  8  0.2236  0.4519  0.6502  1
  Zr  Zr2  4  0.0000  0.0890  0.0004  1
  Zr  Zr3  4  0.0000  0.3099  0.7502  1
  Ga  Ga4  8  0.1134  0.1172  0.5173  1
  Ga  Ga5  4  0.0000  0.4592  0.3503  1
  H  H6  4  0.0000  0.2466  0.0894  1
]