data_[Tl9P7]
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 [P31m]
_cell_length_a [9.0635]
_cell_length_b [9.0635]
_cell_length_c [18.8912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Tl9P7]
_chemical_formula_sum '[Tl9 P7]'
_cell_volume [1343.9420]
_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
[
  Tl  Tl0  6  0.2104  0.4253  0.5928  1
  Tl  Tl1  2  0.3333  0.6667  0.3868  1
  Tl  Tl2  1  0.0000  0.0000  0.5676  1
  P  P3  6  0.1341  0.8072  0.4471  1
  P  P4  1  0.0000  0.0000  0.4198  1
]