data_[Na4Tl6P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0989]
_cell_length_b [9.8844]
_cell_length_c [17.7964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na2(TlP)3]
_chemical_formula_sum '[Na4 Tl6 P6]'
_cell_volume [1600.5660]
_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
[
  Na  Na0  4  0.4806  0.2214  0.4065  1
  Tl  Tl1  4  0.2481  0.3404  0.5234  1
  Tl  Tl2  2  0.3642  0.0000  0.5555  1
  P  P3  4  0.0506  0.1115  0.5636  1
  P  P4  2  0.0910  0.0000  0.4575  1
]