data_[Ga1P1Se1O3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7848]
_cell_length_b [5.0739]
_cell_length_c [5.3270]
_cell_angle_alpha [111.6158]
_cell_angle_beta [92.6771]
_cell_angle_gamma [117.4128]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GaPSeO3]
_chemical_formula_sum '[Ga1 P1 Se1 O3]'
_cell_volume [102.9999]
_cell_formula_units_Z [1]
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  0.9853  0.9994  0.9967  1
  P  P1  1  0.7221  0.4828  0.2308  1
  Se  Se2  1  0.1320  0.7449  0.6062  1
  O  O3  1  0.3898  0.2728  0.2749  1
  O  O4  1  0.6956  0.7265  0.1353  1
  O  O5  1  0.8252  0.2736  0.0061  1
]