data_[Tl6P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [16.9944]
_cell_length_b [13.7121]
_cell_length_c [16.9944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Tl3P]
_chemical_formula_sum '[Tl6 P2]'
_cell_volume [3429.6082]
_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
[
  Tl  Tl0  2  0.0709  0.3480  0.6355  1
  Tl  Tl1  2  0.1155  0.8480  0.4964  1
  Tl  Tl2  1  0.0000  0.0378  0.5000  1
  Tl  Tl3  1  0.0000  0.5378  0.5000  1
  P  P4  1  0.0000  0.2231  0.5000  1
  P  P5  1  0.0000  0.7231  0.5000  1
]