data_[K8Ti4Ga4Te20]
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
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9651]
_cell_length_b [21.4920]
_cell_length_c [15.2615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2TiGaTe5]
_chemical_formula_sum '[K8 Ti4 Ga4 Te20]'
_cell_volume [1300.5523]
_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  0.1241  0.3237  1.0
  K  K1  4  0.0000  0.1376  0.6925  1.0
  Ti  Ti2  4  0.0000  0.2062  0.0316  1.0
  Ga  Ga3  4  0.0000  0.4256  0.4165  1.0
  Te  Te4  4  0.0000  0.0669  0.0325  1.0
  Te  Te5  4  0.0000  0.3019  0.3936  1.0
  Te  Te6  4  0.0000  0.3019  0.6546  1.0
  Te  Te7  4  0.0000  0.3278  0.0058  1.0
  Te  Te8  4  0.0000  0.4896  0.2731  1.0
]