data_[Ce2Hf2Mg28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hf  1.3000  1.5500  0.8500
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.4465]
_cell_length_b [6.2884]
_cell_length_c [11.4671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CeHfMg14]
_chemical_formula_sum '[Ce2 Hf2 Mg28]'
_cell_volume [753.2928]
_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
[
  Ce  Ce0  2  0.5000  0.0000  0.1699  1.0
  Hf  Hf1  2  0.5000  0.0000  0.6621  1.0
  Mg  Mg2  8  0.2444  0.2467  0.5818  1.0
  Mg  Mg3  4  0.0000  0.2483  0.9181  1.0
  Mg  Mg4  4  0.2417  0.0000  0.3347  1.0
  Mg  Mg5  4  0.2558  0.0000  0.8305  1.0
  Mg  Mg6  4  0.5000  0.2482  0.4187  1.0
  Mg  Mg7  2  0.0000  0.0000  0.1674  1.0
  Mg  Mg8  2  0.0000  0.0000  0.6693  1.0
]