data_[Ga2H2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.9783]
_cell_length_b [5.4165]
_cell_length_c [5.4663]
_cell_angle_alpha [91.1230]
_cell_angle_beta [95.5618]
_cell_angle_gamma [102.4863]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GaHO2]
_chemical_formula_sum '[Ga2 H2 O4]'
_cell_volume [85.6173]
_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  0.3260  0.8128  0.6525  1.0
  Ga  Ga1  1  0.5749  0.3611  0.2921  1.0
  H  H2  1  0.7119  0.2499  0.7334  1.0
  H  H3  1  0.9269  0.9632  0.0066  1.0
  O  O4  1  0.0066  0.2648  0.1203  1.0
  O  O5  1  0.4816  0.1738  0.5960  1.0
  O  O6  1  0.7448  0.6823  0.4474  1.0
  O  O7  1  0.8641  0.8104  0.8907  1.0
]