data_[Zr8Ga6H2]
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 [Pmn2_1]
_cell_length_a [9.3342]
_cell_length_b [5.5124]
_cell_length_c [5.6240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Zr4Ga3H]
_chemical_formula_sum '[Zr8 Ga6 H2]'
_cell_volume [289.3767]
_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  4  0.1753  0.8522  0.8638  1
  Zr  Zr1  2  0.0000  0.3988  0.0928  1
  Zr  Zr2  2  0.0000  0.9400  0.3740  1
  Ga  Ga3  4  0.2376  0.6466  0.3412  1
  Ga  Ga4  2  0.0000  0.4331  0.5902  1
  H  H5  2  0.0000  0.0243  0.0178  1
]