data_LaCd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.59
_cell_angle_alpha   110.73
_cell_angle_beta   110.73
_cell_angle_gamma   38.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2Ru
_chemical_formula_sum   'La1 Cd2 Ru1'
_cell_volume   93.1
_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
  La  La2  1  0.32  0.0  0.86  1.0
  Cd  Cd0  1  0.84  0.0  0.16  1.0
  Cd  Cd1  1  0.12  0.0  0.03  1.0
  Ru  Ru3  1  0.94  0.0  0.91  1.0

data_LaCd2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.39
_cell_length_c   5.59
_cell_angle_alpha   110.73
_cell_angle_beta   90.0
_cell_angle_gamma   109.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2Ru
_chemical_formula_sum   'La1 Cd2 Ru1'
_cell_volume   93.1
_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
  La  La0  1  0.0  0.68  0.14  1.0
  Cd  Cd1  1  0.0  0.16  0.84  1.0
  Cd  Cd2  1  0.0  0.88  0.97  1.0
  Ru  Ru3  1  0.0  0.06  0.09  1.0

La Cd Cd Ru