data_LaCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   145.63
_cell_angle_beta   131.92
_cell_angle_gamma   60.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr
_chemical_formula_sum   'La2 Cr2'
_cell_volume   103.53
_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  0.86  0.28  0.19  1.0
  La  La3  1  0.0  0.28  0.25  1.0
  Cr  Cr0  1  0.0  0.84  0.64  1.0
  Cr  Cr1  1  0.86  0.72  0.79  1.0

data_LaCr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.72
_cell_length_b   5.12
_cell_length_c   6.29
_cell_angle_alpha   114.04
_cell_angle_beta   107.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaCr
_chemical_formula_sum   'La2 Cr2'
_cell_volume   103.53
_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  0.46  0.03  0.46  1.0
  Cr  Cr1  2  0.15  0.14  0.71  1.0

La La Cr Cr