data_[K4Ti4Cu4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9949]
_cell_length_b [16.1303]
_cell_length_c [10.6705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KTiCuTe3]
_chemical_formula_sum '[K4 Ti4 Cu4 Te12]'
_cell_volume [687.5860]
_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  0.2458  0.2500  1.0
  Ti  Ti1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.4650  0.7500  1.0
  Te  Te3  8  0.0000  0.3793  0.5474  1.0
  Te  Te4  4  0.0000  0.0714  0.7500  1.0
]