data_[K4Tl4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3377]
_cell_length_b [4.5231]
_cell_length_c [6.5561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9455]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTlGa]
_chemical_formula_sum '[K4 Tl4 Ga4]'
_cell_volume [421.0879]
_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  0.1195  0.5000  0.3593  1.0
  Tl  Tl1  4  0.0824  0.0000  0.8333  1.0
  Ga  Ga2  4  0.2202  0.5000  0.9070  1.0
]