data_[Ga2As2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.7459]
_cell_length_b [2.9422]
_cell_length_c [14.6392]
_cell_angle_alpha [87.6404]
_cell_angle_beta [88.0081]
_cell_angle_gamma [62.2052]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GaAsH]
_chemical_formula_sum '[Ga2 As2 H2]'
_cell_volume [104.5178]
_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
[
  Ga  Ga0  1  0.3722  0.0813  0.5858  1
  Ga  Ga1  1  0.8531  0.0558  0.7572  1
  As  As2  1  0.3902  0.1124  0.4086  1
  As  As3  1  0.8324  0.0279  0.9344  1
  H  H4  1  0.1512  0.8326  0.1528  1
  H  H5  1  0.2826  0.8787  0.1931  1
]