data_[Tl1As2Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6980]
_cell_length_b [4.0964]
_cell_length_c [5.5032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TlAs2Au]
_chemical_formula_sum '[Tl1 As2 Au1]'
_cell_volume [103.1479]
_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  0.5000  0.0000  1.0
  As  As1  2  0.2592  0.0000  0.3542  1.0
  Au  Au2  1  0.0000  0.5000  0.5000  1.0
]