data_[Rb6Tl6P4]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.5529]
_cell_length_b [14.9269]
_cell_length_c [19.7758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Rb3Tl3P2]
_chemical_formula_sum '[Rb6 Tl6 P4]'
_cell_volume [2229.5368]
_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
[
  Rb  Rb0  4  0.4832  0.3518  0.5541  1
  Rb  Rb1  2  0.3754  0.5000  0.3454  1
  Tl  Tl2  4  0.4708  0.1078  0.5869  1
  Tl  Tl3  2  0.3043  0.0000  0.4407  1
  P  P4  4  0.1328  0.5757  0.4660  1
]