data_[Rb4Tl3As3]
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 [9.4089]
_cell_length_b [9.4205]
_cell_length_c [19.6931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Rb4(TlAs)3]
_chemical_formula_sum '[Rb4 Tl3 As3]'
_cell_volume [1745.5382]
_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  2  0.6373  0.2717  0.5032  1
  Rb  Rb1  1  0.1998  0.5000  0.3612  1
  Rb  Rb2  1  0.2162  0.0000  0.5843  1
  Tl  Tl3  2  0.0267  0.2456  0.4775  1
  Tl  Tl4  1  0.0474  0.5000  0.5995  1
  As  As5  2  0.2880  0.3673  0.5212  1
  As  As6  1  0.8846  0.5000  0.4512  1
]