data_[Cs4Mg4Sc8Te16]
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
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3876]
_cell_length_b [15.3822]
_cell_length_c [15.5368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsMg(ScTe2)2]
_chemical_formula_sum '[Cs4 Mg4 Sc8 Te16]'
_cell_volume [1048.5777]
_cell_formula_units_Z [4]
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  0.1208  0.7500  1
  Mg  Mg1  4  0.0000  0.1699  0.2500  1
  Sc  Sc2  8  0.0000  0.3784  0.5551  1
  Te  Te3  8  0.0000  0.2529  0.0955  1
  Te  Te4  4  0.0000  0.0000  0.0000  1
  Te  Te5  4  0.0000  0.4350  0.7500  1
]