data_HfMg2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.55
_cell_length_b   10.55
_cell_length_c   10.55
_cell_angle_alpha   17.31
_cell_angle_beta   17.31
_cell_angle_gamma   17.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2In
_chemical_formula_sum   'Hf1 Mg2 In1'
_cell_volume   90.78
_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  0.59  1.0
  Mg  Mg2  1  0.0  0.0  0.17  1.0
  Mg  Mg3  1  0.0  0.0  0.39  1.0
  In  In1  1  0.0  0.0  0.79  1.0

data_HfMg2In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   3.18
_cell_length_c   10.55
_cell_angle_alpha   90.0
_cell_angle_beta   100.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMg2In
_chemical_formula_sum   'Hf2 Mg4 In2'
_cell_volume   181.56
_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  0.41  1.0
  Mg  Mg1  2  -0.0  0.0  0.61  1.0
  Mg  Mg2  2  -0.0  0.0  0.83  1.0
  In  In3  2  -0.0  0.0  0.21  1.0

Hf Mg Mg In