data_GaHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.82
_cell_length_c   25.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHO2
_chemical_formula_sum   'Ga2 H2 O4'
_cell_volume   292.37
_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  0.5  0.26  0.46  1.0
  Ga  Ga1  1  0.0  0.76  0.54  1.0
  H  H2  1  0.0  0.48  0.39  1.0
  H  H3  1  0.5  0.98  0.61  1.0
  O  O4  1  0.0  0.26  0.41  1.0
  O  O5  1  0.0  0.27  0.52  1.0
  O  O6  1  0.5  0.77  0.48  1.0
  O  O7  1  0.5  0.76  0.59  1.0

Ga Ga H H O O O O 0 4 o o o 0 4 + o o 0 5 o o o 0 5 + o o 0 6 o - o 0 6 o o o 1 6 - o o 1 6 o o o 1 7 - o o 1 7 o o o 1 5 o o o 1 5 o + o 2 4 o o o 3 7 o o o 
data_GaHO2
_symmetry_space_group_name_H-M   Pmn2_1
_cell_length_a   3.04
_cell_length_b   25.15
_cell_length_c   3.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   31
_chemical_formula_structural   GaHO2
_chemical_formula_sum   'Ga2 H2 O4'
_cell_volume   292.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x+1/2, -y, z+1/2'
  3  '-x, y, z'
  4  'x+1/2, -y, z+1/2'
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  0.0  0.46  0.76  1.0
  H  H1  2  0.0  0.61  0.48  1.0
  O  O2  2  0.0  0.48  0.27  1.0
  O  O3  2  0.0  0.59  0.26  1.0
