data_YCd2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   141.18
_cell_angle_beta   127.8
_cell_angle_gamma   66.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd2Os
_chemical_formula_sum   'Y1 Cd2 Os1'
_cell_volume   82.75
_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
  Y  Y3  1  0.0  0.0  0.79  1.0
  Cd  Cd0  1  0.84  0.0  0.1  1.0
  Cd  Cd1  1  0.0  0.0  0.4  1.0
  Os  Os2  1  0.84  0.0  0.57  1.0

data_YCd2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.87
_cell_length_c   5.54
_cell_angle_alpha   116.1
_cell_angle_beta   109.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd2Os
_chemical_formula_sum   'Y1 Cd2 Os1'
_cell_volume   82.75
_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
  Y  Y0  1  0.0  0.79  0.79  1.0
  Cd  Cd1  1  0.0  0.1  0.26  1.0
  Cd  Cd2  1  0.0  0.4  0.4  1.0
  Os  Os3  1  0.0  0.57  0.73  1.0

Y Cd Cd Os
Y Cd Cd Os 0 3 - o o 1 2 + o o 2 3 - o o 