data_[K4Ba4Ga4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6337]
_cell_length_b [15.6376]
_cell_length_c [13.6274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KBaGaTe3]
_chemical_formula_sum '[K4 Ba4 Ga4 Te12]'
_cell_volume [987.4314]
_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  0.2554  0.7500  1
  Ba  Ba1  4  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0000  0.4478  0.2500  1
  Te  Te3  8  0.0000  0.3547  0.0908  1
  Te  Te4  4  0.0000  0.0567  0.2500  1
]