data_CdMoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   4.01
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMoOs2
_chemical_formula_sum   'Cd1 Mo1 Os2'
_cell_volume   64.4
_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  0.99  0.01  0.84  1.0
  Mo  Mo1  1  0.4  0.0  0.49  1.0
  Os  Os2  1  0.75  0.01  0.0  1.0
  Os  Os3  1  0.38  0.0  0.27  1.0

data_CdMoOs2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.8
_cell_length_b   4.01
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CdMoOs2
_chemical_formula_sum   'Cd1 Mo1 Os2'
_cell_volume   64.4
_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  0.99  0.0  0.84  1.0
  Mo  Mo1  1  0.4  0.0  0.49  1.0
  Os  Os2  1  0.38  0.0  0.27  1.0
  Os  Os3  1  0.75  0.0  0.0  1.0

Cd Mo Os Os
Cd Mo Os Os 0 2 o o + 1 3 o o o 