data_LaCd2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   3.17
_cell_angle_alpha   99.26
_cell_angle_beta   99.26
_cell_angle_gamma   120.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2Ag
_chemical_formula_sum   'La1 Cd2 Ag1'
_cell_volume   102.19
_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  La3  1  0.13  0.0  0.0  1.0
  Cd  Cd1  1  0.05  0.73  0.5  1.0
  Cd  Cd2  1  0.05  0.27  0.5  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_LaCd2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   6.03
_cell_length_c   6.29
_cell_angle_alpha   115.58
_cell_angle_beta   99.26
_cell_angle_gamma   100.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2Ag
_chemical_formula_sum   'La1 Cd2 Ag1'
_cell_volume   102.19
_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  0.0  0.13  1.0
  Cd  Cd1  1  0.22  0.73  0.78  1.0
  Cd  Cd2  1  0.77  0.27  0.33  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

La Cd Cd Ag
La Cd Cd Ag 0 3 o o o 0 1 o - - 0 2 o o o 1 3 o + + 2 3 o o o 2 3 o o + 