data_[Tl2Sb2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.1139]
_cell_length_b [7.3201]
_cell_length_c [17.9904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [93.7090]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlSbAs2]
_chemical_formula_sum '[Tl2 Sb2 As4]'
_cell_volume [803.4661]
_cell_formula_units_Z [2]
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  0.7223  0.0002  0.4086  1
  Tl  Tl1  1  0.7423  0.5078  0.4208  1
  Sb  Sb2  1  0.0544  0.4076  0.5558  1
  Sb  Sb3  1  0.4905  0.1135  0.5748  1
  As  As4  1  0.0861  0.9386  0.5511  1
  As  As5  1  0.2165  0.1753  0.4578  1
  As  As6  1  0.2624  0.6870  0.4839  1
  As  As7  1  0.6247  0.7693  0.5473  1
]