data_HfMgIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.24
_cell_length_b   10.24
_cell_length_c   10.24
_cell_angle_alpha   18.21
_cell_angle_beta   18.21
_cell_angle_gamma   18.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgIn2
_chemical_formula_sum   'Hf1 Mg1 In2'
_cell_volume   91.7
_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
  Hf  Hf0  1  0.0  0.0  0.11  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.57  1.0
  In  In2  1  0.0  0.0  0.64  1.0

data_HfMgIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.62
_cell_length_b   3.24
_cell_length_c   10.24
_cell_angle_alpha   90.0
_cell_angle_beta   100.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMgIn2
_chemical_formula_sum   'Hf2 Mg2 In4'
_cell_volume   183.4
_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
  Hf  Hf0  2  0.0  0.0  0.89  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  In  In2  2  0.0  0.0  0.36  1.0
  In  In3  2  0.0  0.0  0.43  1.0

Hf Mg In In
Hf Mg In In 0 1 o o o 2 3 o o o 