data_LaCd2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   136.16
_cell_angle_beta   136.16
_cell_angle_gamma   63.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2Fe
_chemical_formula_sum   'La1 Cd2 Fe1'
_cell_volume   86.31
_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  0.0  0.0  0.82  1.0
  Cd  Cd0  1  0.0  0.12  0.41  1.0
  Cd  Cd1  1  0.12  0.0  0.41  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0

data_LaCd2Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   121.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaCd2Fe
_chemical_formula_sum   'La2 Cd4 Fe2'
_cell_volume   172.62
_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
  La  La0  2  0.18  0.0  0.18  1.0
  Cd  Cd1  4  0.15  0.44  0.71  1.0
  Fe  Fe2  2  0.0  0.0  0.0  1.0

La Cd Cd Fe
La Cd Cd Fe 0 3 o o + 1 2 o o o 