data_[Cs4Hf4Mg2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hf  1.3000  1.5500  0.8500
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3212]
_cell_length_b [12.6933]
_cell_length_c [9.4512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Hf2MgTe6]
_chemical_formula_sum '[Cs4 Hf4 Mg2 Te12]'
_cell_volume [849.9380]
_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
[
  Cs  Cs0  4  0.0000  0.1641  0.0000  1.0
  Hf  Hf1  4  0.0000  0.3326  0.5000  1.0
  Mg  Mg2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  8  0.2304  0.1701  0.6801  1.0
  Te  Te4  4  0.2121  0.5000  0.6809  1.0
]