data_Ca2CdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   38.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CdRu
_chemical_formula_sum   'Ca2 Cd1 Ru1'
_cell_volume   102.24
_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
  Ca  Ca0  1  0.31  0.0  0.02  1.0
  Ca  Ca1  1  0.0  0.0  0.74  1.0
  Cd  Cd2  1  0.31  0.0  0.04  1.0
  Ru  Ru3  1  0.0  0.0  0.52  1.0

data_Ca2CdRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.61
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   109.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CdRu
_chemical_formula_sum   'Ca2 Cd1 Ru1'
_cell_volume   102.24
_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
  Ca  Ca0  1  0.26  0.0  0.26  1.0
  Ca  Ca1  1  0.98  0.31  0.98  1.0
  Cd  Cd2  1  0.96  0.31  0.96  1.0
  Ru  Ru3  1  0.48  0.0  0.48  1.0

Ca Ca Cd Ru