data_LaCd2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66
_cell_length_b   8.66
_cell_length_c   8.66
_cell_angle_alpha   26.91
_cell_angle_beta   26.91
_cell_angle_gamma   26.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2Se
_chemical_formula_sum   'La1 Cd2 Se1'
_cell_volume   117.32
_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  0.0  0.0  0.51  1.0
  Cd  Cd0  1  0.0  0.0  0.67  1.0
  Cd  Cd1  1  0.0  0.0  0.36  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_LaCd2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.98
_cell_length_b   4.03
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   105.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaCd2Se
_chemical_formula_sum   'La2 Cd4 Se2'
_cell_volume   234.64
_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  0.0  0.0  0.49  1.0
  Cd  Cd1  2  0.0  0.0  0.33  1.0
  Cd  Cd2  2  0.0  0.0  0.64  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

La Cd Cd Se