data_LaCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   7.37
_cell_angle_alpha   151.78
_cell_angle_beta   142.3
_cell_angle_gamma   47.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCl
_chemical_formula_sum   'La2 Cl2'
_cell_volume   115.25
_cell_formula_units_Z   2
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  0.19  0.06  1.0
  La  La3  1  0.8  0.19  0.68  1.0
  Cl  Cl0  1  0.8  0.81  0.34  1.0
  Cl  Cl1  1  0.0  0.57  0.4  1.0

data_LaCl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.59
_cell_length_b   4.76
_cell_length_c   7.37
_cell_angle_alpha   108.85
_cell_angle_beta   104.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaCl
_chemical_formula_sum   'La2 Cl2'
_cell_volume   115.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.08  0.19  0.08  1.0
  Cl  Cl1  2  0.43  0.15  0.05  1.0

La La Cl Cl