data_La2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Cr
_chemical_formula_sum   'La8 Cr4'
_cell_volume   361.04
_cell_formula_units_Z   4
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  La4  1  0.0  0.0  0.0  1.0
  La  La5  1  0.0  0.0  0.17  1.0
  La  La6  1  0.0  0.27  0.25  1.0
  La  La7  1  0.43  0.99  0.25  1.0
  La  La8  1  0.97  0.14  0.08  1.0
  La  La9  1  0.57  0.99  0.25  1.0
  La  La10  1  0.11  0.14  0.08  1.0
  La  La11  1  0.54  0.85  0.08  1.0
  Cr  Cr0  1  0.0  0.08  0.65  1.0
  Cr  Cr1  1  0.0  0.08  0.52  1.0
  Cr  Cr2  1  0.54  0.04  0.82  1.0
  Cr  Cr3  1  0.54  0.04  0.68  1.0

data_La2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Cr
_chemical_formula_sum   'La8 Cr4'
_cell_volume   361.04
_cell_formula_units_Z   4
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  0.27  0.25  1.0
  La  La1  1  0.0  0.0  0.0  1.0
  La  La2  1  0.0  0.0  0.17  1.0
  La  La3  1  0.11  0.14  0.08  1.0
  La  La4  1  0.43  0.99  0.25  1.0
  La  La5  1  0.54  0.85  0.08  1.0
  La  La6  1  0.57  0.99  0.25  1.0
  La  La7  1  0.97  0.14  0.08  1.0
  Cr  Cr8  1  -0.0  0.08  0.52  1.0
  Cr  Cr9  1  -0.0  0.08  0.65  1.0
  Cr  Cr10  1  0.54  0.04  0.68  1.0
  Cr  Cr11  1  0.54  0.04  0.82  1.0

La La La La La La La La Cr Cr Cr Cr