data_[Tl4Bi1As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.9618]
_cell_length_b [6.1082]
_cell_length_c [19.5351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl4BiAs3]
_chemical_formula_sum '[Tl4 Bi1 As3]'
_cell_volume [950.0352]
_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  0.5743  0.2510  0.3950  1
  Tl  Tl1  1  0.0288  0.5000  0.6271  1
  Tl  Tl2  1  0.1773  0.0000  0.4796  1
  Bi  Bi3  1  0.3331  0.5000  0.5118  1
  As  As4  2  0.8375  0.2980  0.5044  1
  As  As5  1  0.6414  0.5000  0.5827  1
]