data_[Rb1Tl4As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.8959]
_cell_length_b [6.9535]
_cell_length_c [18.9036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [RbTl4As3]
_chemical_formula_sum '[Rb1 Tl4 As3]'
_cell_volume [906.4437]
_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
[
  Rb  Rb0  1  0.1109  0.0000  0.3906  1
  Tl  Tl1  2  0.8558  0.2885  0.5361  1
  Tl  Tl2  1  0.3397  0.5000  0.4973  1
  Tl  Tl3  1  0.4779  0.0000  0.5816  1
  As  As4  2  0.5993  0.1727  0.4306  1
  As  As5  1  0.0460  0.0000  0.5971  1
]