data_[Zr8Ga4H4]
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 [C2/m]
_cell_length_a [6.4204]
_cell_length_b [13.7941]
_cell_length_c [3.3318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2GaH]
_chemical_formula_sum '[Zr8 Ga4 H4]'
_cell_volume [263.6351]
_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  4  0.0000  0.3009  0.5000  1.0
  Zr  Zr1  4  0.2407  0.5000  0.2834  1.0
  Ga  Ga2  4  0.0000  0.1381  0.0000  1.0
  H  H3  4  0.0000  0.3885  0.0000  1.0
]