data_[Hf14Mg2In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9788]
_cell_length_b [5.3844]
_cell_length_c [11.0931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5394]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf7MgIn4]
_chemical_formula_sum '[Hf14 Mg2 In8]'
_cell_volume [570.5291]
_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
[
  Hf  Hf0  4  0.0285  0.0000  0.3787  1
  Hf  Hf1  4  0.1488  0.5000  0.5495  1
  Hf  Hf2  4  0.2128  0.0000  0.9093  1
  Hf  Hf3  2  0.0000  0.5000  0.0000  1
  Mg  Mg4  2  0.0000  0.0000  0.0000  1
  In  In5  4  0.0876  0.5000  0.7785  1
  In  In6  4  0.2157  0.5000  0.3175  1
]