data_[K4Mg4Sc2Te8]
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
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4721]
_cell_length_b [4.4419]
_cell_length_c [8.4822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Mg2ScTe4]
_chemical_formula_sum '[K4 Mg4 Sc2 Te8]'
_cell_volume [591.2711]
_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
[
  K  K0  4  0.1247  0.0000  0.5520  1.0
  Mg  Mg1  4  0.1681  0.5000  0.9786  1.0
  Sc  Sc2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0077  0.5000  0.7611  1.0
  Te  Te4  4  0.2037  0.0000  0.1914  1.0
]