data_LaCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr
_chemical_formula_sum   'La2 Cr2'
_cell_volume   99.59
_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  0.53  0.46  0.38  1.0
  La  La3  1  0.0  0.92  0.13  1.0
  Cr  Cr0  1  0.0  0.0  0.25  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0

data_LaCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr
_chemical_formula_sum   'La2 Cr2'
_cell_volume   99.59
_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  La0  1  0.13  0.0  0.92  1.0
  La  La1  1  0.38  0.53  0.46  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.25  0.0  0.0  1.0

La La Cr Cr