data_[Tl4Ga4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9324]
_cell_length_b [4.5991]
_cell_length_c [10.2533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlGaSn]
_chemical_formula_sum '[Tl4 Ga4 Sn4]'
_cell_volume [349.4538]
_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  0.1151  0.5000  0.8903  1.0
  Ga  Ga1  4  0.1620  0.0000  0.6046  1.0
  Sn  Sn2  4  0.1406  0.0000  0.3076  1.0
]