data_[K2Sc2Sn2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2007]
_cell_length_b [4.3303]
_cell_length_c [11.5145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KScSnTe3]
_chemical_formula_sum '[K2 Sc2 Sn2 Te6]'
_cell_volume [434.4446]
_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  2  0.2120  0.2500  0.2556  1.0
  Sc  Sc1  2  0.3701  0.7500  0.8473  1.0
  Sn  Sn2  2  0.1346  0.2500  0.5574  1.0
  Te  Te3  2  0.1294  0.2500  0.8050  1.0
  Te  Te4  2  0.3630  0.7500  0.5841  1.0
  Te  Te5  2  0.4004  0.7500  0.1070  1.0
]