data_Ca2HfIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.46
_cell_length_b   11.46
_cell_length_c   11.46
_cell_angle_alpha   17.22
_cell_angle_beta   17.22
_cell_angle_gamma   17.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2HfIn
_chemical_formula_sum   'Ca2 Hf1 In1'
_cell_volume   115.07
_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
  Ca  Ca0  1  0.0  0.0  0.48  1.0
  Ca  Ca1  1  0.0  0.0  0.37  1.0
  Hf  Hf2  1  0.0  0.0  0.93  1.0
  In  In3  1  0.0  0.0  0.0  1.0

data_Ca2HfIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   3.43
_cell_length_c   11.46
_cell_angle_alpha   90.0
_cell_angle_beta   99.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2HfIn
_chemical_formula_sum   'Ca4 Hf2 In2'
_cell_volume   230.13
_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
  Ca  Ca0  2  -0.0  0.0  0.52  1.0
  Ca  Ca1  2  -0.0  0.0  0.63  1.0
  Hf  Hf2  2  -0.0  0.0  0.07  1.0
  In  In3  2  -0.0  0.0  0.0  1.0

Ca Ca Hf In
Ca Ca Hf In 0 1 o o o 2 3 o o + 