data_[K6Sc6Cu2Te16]
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
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3640]
_cell_length_b [8.2992]
_cell_length_c [9.7430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Sc3CuTe8]
_chemical_formula_sum '[K6 Sc6 Cu2 Te16]'
_cell_volume [1013.5983]
_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  0.2500  0.2500  0.0000  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  4  0.2500  0.2500  0.5000  1.0
  Sc  Sc3  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu4  2  0.0000  0.0000  0.5000  1.0
  Te  Te5  8  0.0186  0.2514  0.3052  1.0
  Te  Te6  4  0.2145  0.0000  0.6820  1.0
  Te  Te7  4  0.2337  0.5000  0.7004  1.0
]