data_Zn2GaOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2GaOs
_chemical_formula_sum   'Zn2 Ga1 Os1'
_cell_volume   61.36
_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
  Zn  Zn2  1  0.0  0.0  0.04  1.0
  Zn  Zn3  1  0.41  0.0  0.68  1.0
  Ga  Ga0  1  0.0  0.0  0.36  1.0
  Os  Os1  1  0.41  0.0  0.24  1.0

data_Zn2GaOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.82
_cell_length_b   4.9
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2GaOs
_chemical_formula_sum   'Zn4 Ga2 Os2'
_cell_volume   122.71
_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
  Zn  Zn0  2  0.0  0.0  0.04  1.0
  Zn  Zn1  2  0.41  0.0  0.68  1.0
  Ga  Ga2  2  0.0  0.0  0.36  1.0
  Os  Os3  2  0.41  0.0  0.24  1.0

Zn Zn Ga Os
Zn Zn Ga Os 0 0 + + o 0 0 o + o 0 0 + o o 0 3 - o o 0 3 o o o 0 2 o o o 0 1 o o - 1 1 + + o 1 1 o + o 1 1 + o o 1 2 o o o 1 2 + o o 2 3 o o o 