data_CaLaCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45
_cell_length_b   7.45
_cell_length_c   7.45
_cell_angle_alpha   148.26
_cell_angle_beta   148.26
_cell_angle_gamma   45.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaCl2
_chemical_formula_sum   'Ca1 La1 Cl2'
_cell_volume   113.95
_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
  Ca  Ca0  1  0.0  0.0  0.87  1.0
  La  La3  1  0.04  0.0  0.43  1.0
  Cl  Cl1  1  0.0  0.04  0.43  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_CaLaCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   7.45
_cell_angle_alpha   105.87
_cell_angle_beta   105.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaCl2
_chemical_formula_sum   'Ca1 La1 Cl2'
_cell_volume   113.95
_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
  Ca  Ca0  1  0.87  0.87  0.87  1.0
  La  La1  1  0.43  0.4  0.4  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.4  0.43  0.4  1.0

Ca La Cl Cl