data_GaCu2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   128.65
_cell_angle_beta   128.65
_cell_angle_gamma   75.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu2Os
_chemical_formula_sum   'Ga1 Cu2 Os1'
_cell_volume   52.94
_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  Ga2  1  0.0  0.0  0.53  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.94  0.0  0.77  1.0
  Os  Os3  1  0.0  0.94  0.77  1.0

data_GaCu2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   4.47
_cell_angle_alpha   115.68
_cell_angle_beta   115.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu2Os
_chemical_formula_sum   'Ga1 Cu2 Os1'
_cell_volume   52.94
_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  0.53  0.53  0.53  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.77  0.83  0.83  1.0
  Os  Os3  1  0.83  0.77  0.83  1.0

Ga Cu Cu Os