data_[Tl2In1Ga1Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8232]
_cell_length_b [4.5295]
_cell_length_c [7.8516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl2InGaCl4]
_chemical_formula_sum '[Tl2 In1 Ga1 Cl4]'
_cell_volume [262.3261]
_cell_formula_units_Z [1]
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
[
  Tl  Tl0  1  0.5000  0.0000  0.5000  1.0
  Tl  Tl1  1  0.5000  0.5000  0.0000  1.0
  In  In2  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl4  2  0.2363  0.0000  0.7383  1.0
  Cl  Cl5  2  0.2413  0.5000  0.2546  1.0
]