data_[Cs8Mg8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [7.0648]
_cell_length_b [27.4023]
_cell_length_c [7.3287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [CsMgTe2]
_chemical_formula_sum '[Cs8 Mg8 Te16]'
_cell_volume [1418.7887]
_cell_formula_units_Z [8]
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  8  0.0000  0.1009  0.0123  1
  Mg  Mg1  8  0.2500  0.2500  0.2605  1
  Te  Te2  8  0.0000  0.1982  0.5107  1
  Te  Te3  8  0.1941  0.0000  0.7162  1
]