data_[Ga4Ni12H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9307]
_cell_length_b [5.1026]
_cell_length_c [4.4975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GaNi3H]
_chemical_formula_sum '[Ga4 Ni12 H4]'
_cell_volume [193.4284]
_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
[
  Ga  Ga0  2  0.0524  0.5000  0.5529  1.0
  Ga  Ga1  2  0.3160  0.5000  0.1070  1.0
  Ni  Ni2  4  0.0650  0.2537  0.0643  1.0
  Ni  Ni3  4  0.3098  0.2504  0.5882  1.0
  Ni  Ni4  2  0.0643  0.0000  0.5644  1.0
  Ni  Ni5  2  0.3167  0.0000  0.0778  1.0
  H  H6  2  0.1889  0.0000  0.3118  1.0
  H  H7  2  0.4498  0.5000  0.7790  1.0
]