data_GaPOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPOs2
_chemical_formula_sum   'Ga1 P1 Os2'
_cell_volume   59.82
_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  0.42  0.0  0.17  1.0
  P  P3  1  0.0  0.0  0.52  1.0
  Os  Os1  1  0.0  0.0  0.73  1.0
  Os  Os2  1  0.42  0.0  0.43  1.0

data_GaPOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.8
_cell_length_b   4.89
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaPOs2
_chemical_formula_sum   'Ga2 P2 Os4'
_cell_volume   119.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.42  0.0  0.17  1.0
  P  P1  2  0.0  0.0  0.52  1.0
  Os  Os2  2  0.0  0.0  0.73  1.0
  Os  Os3  2  0.42  0.0  0.43  1.0

Ga P Os Os
Ga P Os Os 0 0 + + o 0 0 o + o 0 0 + o o 0 3 o o o 1 3 o o o 1 2 o o o 