data_[K2Tl2In2Ga4]
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
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.7418]
_cell_length_b [4.8171]
_cell_length_c [12.3018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [KTlInGa2]
_chemical_formula_sum '[K2 Tl2 In2 Ga4]'
_cell_volume [280.9918]
_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  2  0.0000  0.0000  0.4441  1.0
  Tl  Tl1  2  0.0000  0.0000  0.8366  1.0
  In  In2  2  0.0000  0.5000  0.1824  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0661  1.0
  Ga  Ga4  2  0.0000  0.5000  0.6829  1.0
]