data_[K4Ta4Cu4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.5256]
_cell_length_b [4.0929]
_cell_length_c [12.9101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KTaCuTe3]
_chemical_formula_sum '[K4 Ta4 Cu4 Te12]'
_cell_volume [661.8558]
_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  0.1784  0.7500  0.9759  1
  Ta  Ta1  4  0.0488  0.7500  0.6609  1
  Cu  Cu2  4  0.2375  0.2500  0.7852  1
  Te  Te3  4  0.0323  0.2500  0.8152  1
  Te  Te4  4  0.0884  0.7500  0.4279  1
  Te  Te5  4  0.2324  0.2500  0.1711  1
]