data_[Tl2Cr1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.4406]
_cell_length_b [4.7450]
_cell_length_c [5.6119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl2CrAu]
_chemical_formula_sum '[Tl2 Cr1 Au1]'
_cell_volume [91.0909]
_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  2  0.2602  0.0000  0.2497  1
  Cr  Cr1  1  0.0000  0.5000  0.5000  1
  Au  Au2  1  0.5000  0.5000  0.0000  1
]