data_La3Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   116.62
_cell_angle_beta   116.62
_cell_angle_gamma   116.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Cr
_chemical_formula_sum   'La3 Cr1'
_cell_volume   110.58
_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  La1  1  0.37  0.48  0.15  1.0
  La  La2  1  0.63  0.48  0.15  1.0
  La  La3  1  0.0  0.04  0.15  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_La3Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   116.62
_cell_angle_beta   100.72
_cell_angle_gamma   100.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Cr
_chemical_formula_sum   'La3 Cr1'
_cell_volume   110.58
_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  0.15  0.15  0.11  1.0
  La  La1  1  0.15  0.52  0.67  1.0
  La  La2  1  0.15  0.78  0.67  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

La La La Cr
La La La Cr 0 1 o o o 2 3 o o o 