data_[K8Mg4Te4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.1441]
_cell_length_b [8.2825]
_cell_length_c [11.6128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [K2MgTeS4]
_chemical_formula_sum '[K8 Mg4 Te4 S16]'
_cell_volume [783.3307]
_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
[
  K  K0  4  0.0000  0.0000  0.0000  1
  K  K1  4  0.2500  0.2500  0.2500  1
  Mg  Mg2  4  0.0000  0.0000  0.5000  1
  Te  Te3  4  0.2500  0.2500  0.7500  1
  S  S4  8  0.0000  0.0306  0.7341  1
  S  S5  8  0.2149  0.2500  0.5174  1
]