data_[Tl4In12Ga4]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.3219]
_cell_length_b [6.2999]
_cell_length_c [9.5948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlIn3Ga]
_chemical_formula_sum '[Tl4 In12 Ga4]'
_cell_volume [563.4769]
_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
[
  Tl  Tl0  4  0.3988  0.0051  0.8312  1.0
  In  In1  4  0.0514  0.0363  0.6679  1.0
  In  In2  4  0.2401  0.5939  0.6576  1.0
  In  In3  4  0.3336  0.0146  0.4660  1.0
  Ga  Ga4  4  0.0892  0.1528  0.9489  1.0
]