data_Cd2OsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   4.02
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   107.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2OsSe
_chemical_formula_sum   'Cd2 Os1 Se1'
_cell_volume   79.11
_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
  Cd  Cd0  1  0.45  0.01  0.17  1.0
  Cd  Cd1  1  0.11  0.0  0.63  1.0
  Os  Os2  1  0.28  0.01  0.63  1.0
  Se  Se3  1  0.28  0.0  0.03  1.0

data_Cd2OsSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.65
_cell_length_b   4.02
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   107.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cd2OsSe
_chemical_formula_sum   'Cd2 Os1 Se1'
_cell_volume   79.11
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Cd  Cd0  1  0.11  0.0  0.63  1.0
  Cd  Cd1  1  0.45  0.0  0.17  1.0
  Os  Os2  1  0.28  0.0  0.63  1.0
  Se  Se3  1  0.28  0.0  0.03  1.0

Cd Cd Os Se
Cd Cd Os Se 0 3 o o o 1 2 o o o 