data_Mg2CdOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   134.41
_cell_angle_beta   134.41
_cell_angle_gamma   66.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdOs
_chemical_formula_sum   'Mg2 Cd1 Os1'
_cell_volume   70.02
_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
  Mg  Mg1  1  0.0  0.01  0.17  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.34  1.0
  Os  Os3  1  0.01  0.0  0.17  1.0

data_Mg2CdOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   123.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2CdOs
_chemical_formula_sum   'Mg4 Cd2 Os2'
_cell_volume   140.04
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Mg  Mg1  2  0.5  0.5  0.16  1.0
  Cd  Cd2  2  0.0  0.0  0.34  1.0
  Os  Os3  2  0.5  0.5  0.16  1.0

Mg Mg Cd Os
Mg Mg Cd Os 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 