data_La2HfCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.77
_cell_length_b   9.77
_cell_length_c   9.77
_cell_angle_alpha   20.33
_cell_angle_beta   20.33
_cell_angle_gamma   20.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HfCr
_chemical_formula_sum   'La2 Hf1 Cr1'
_cell_volume   98.46
_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  La2  1  0.0  0.0  0.5  1.0
  La  La3  1  0.0  0.0  0.19  1.0
  Hf  Hf1  1  0.0  0.0  0.35  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_La2HfCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.97
_cell_length_b   3.45
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   101.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2HfCr
_chemical_formula_sum   'La4 Hf2 Cr2'
_cell_volume   196.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  -0.0  0.0  0.81  1.0
  La  La1  2  -0.0  0.0  0.5  1.0
  Hf  Hf2  2  -0.0  0.0  0.65  1.0
  Cr  Cr3  2  0.0  0.0  0.0  1.0

La La Hf Cr