data_La2CrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CrCl
_chemical_formula_sum   'La2 Cr1 Cl1'
_cell_volume   96.59
_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  0.57  1.0
  La  La3  1  0.76  0.0  0.91  1.0
  Cr  Cr1  1  0.76  0.0  0.52  1.0
  Cl  Cl0  1  0.0  0.0  0.54  1.0

data_La2CrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CrCl
_chemical_formula_sum   'La2 Cr1 Cl1'
_cell_volume   96.59
_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  0.0  0.0  0.57  1.0
  La  La1  1  0.76  0.0  0.91  1.0
  Cr  Cr2  1  0.76  0.0  0.52  1.0
  Cl  Cl3  1  0.0  0.0  0.54  1.0

La La Cr Cl
La La Cr Cl 0 3 o o o 0 1 - o o 0 2 - o o 1 1 + + o 1 1 o + o 1 1 + o o 1 3 + o o 1 2 o o o 2 3 + o o 