data_LaCdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19
_cell_length_b   7.19
_cell_length_c   7.19
_cell_angle_alpha   147.54
_cell_angle_beta   146.91
_cell_angle_gamma   47.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCdSe2
_chemical_formula_sum   'La1 Cd1 Se2'
_cell_volume   108.73
_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  La1  1  0.0  0.05  0.88  1.0
  Cd  Cd0  1  0.0  0.0  0.8  1.0
  Se  Se2  1  0.0  0.0  0.82  1.0
  Se  Se3  1  0.01  0.0  0.89  1.0

data_LaCdSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.1
_cell_length_c   7.19
_cell_angle_alpha   106.55
_cell_angle_beta   106.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCdSe2
_chemical_formula_sum   'La1 Cd1 Se2'
_cell_volume   108.73
_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  0.12  0.17  0.17  1.0
  Cd  Cd1  1  0.2  0.2  0.2  1.0
  Se  Se2  1  0.12  0.11  0.12  1.0
  Se  Se3  1  0.18  0.18  0.18  1.0

La Cd Se Se