data_[Ba4Tl4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.2194]
_cell_length_b [8.4725]
_cell_length_c [8.5282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaTlGa]
_chemical_formula_sum '[Ba4 Tl4 Ga4]'
_cell_volume [377.1266]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.1677  1.0
  Ba  Ba1  2  0.0000  0.5000  0.2607  1.0
  Tl  Tl2  4  0.0000  0.3063  0.8728  1.0
  Ga  Ga3  4  0.0000  0.1677  0.5497  1.0
]