data_LaCr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.14
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   98.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Cl
_chemical_formula_sum   'La1 Cr2 Cl1'
_cell_volume   75.36
_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  La3  1  0.11  0.57  0.85  1.0
  Cr  Cr1  1  0.6  0.57  0.1  1.0
  Cr  Cr2  1  0.68  0.0  0.11  1.0
  Cl  Cl0  1  0.73  0.0  0.78  1.0

data_LaCr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.19
_cell_length_c   7.62
_cell_angle_alpha   98.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Cl
_chemical_formula_sum   'La1 Cr2 Cl1'
_cell_volume   75.36
_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  0.43  0.89  0.15  1.0
  Cr  Cr1  1  0.0  0.32  0.89  1.0
  Cr  Cr2  1  0.43  0.4  0.9  1.0
  Cl  Cl3  1  0.0  0.27  0.22  1.0

La Cr Cr Cl