data_[K10Te12As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [13.6513]
_cell_length_b [14.9248]
_cell_length_c [5.1764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [K5(Te3As)2]
_chemical_formula_sum '[K10 Te12 As4]'
_cell_volume [1054.6525]
_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  0.0588  0.2374  0.5000  1
  K  K1  4  0.1892  0.9808  0.5000  1
  K  K2  2  0.0000  0.5000  0.5000  1
  Te  Te3  4  0.0432  0.8956  0.0000  1
  Te  Te4  4  0.1509  0.3872  0.0000  1
  Te  Te5  4  0.1898  0.7015  0.5000  1
  As  As6  4  0.1926  0.7801  0.0000  1
]