data_GaP2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   3.66
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   104.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaP2Se
_chemical_formula_sum   'Ga1 P2 Se1'
_cell_volume   76.69
_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  0.0  0.0  0.0  1.0
  P  P1  1  0.3  0.83  0.87  1.0
  P  P2  1  0.86  0.83  0.87  1.0
  Se  Se3  1  0.58  0.0  0.37  1.0

data_GaP2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   4.41
_cell_length_c   4.91
_cell_angle_alpha   104.83
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaP2Se
_chemical_formula_sum   'Ga1 P2 Se1'
_cell_volume   76.69
_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  0.0  0.0  0.0  1.0
  P  P1  1  0.17  0.14  0.13  1.0
  P  P2  1  0.17  0.7  0.13  1.0
  Se  Se3  1  0.0  0.42  0.63  1.0

Ga P P Se