data_[Tl6Cu4P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [18.4318]
_cell_length_b [12.2124]
_cell_length_c [7.9826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Tl3Cu2P3]
_chemical_formula_sum '[Tl6 Cu4 P6]'
_cell_volume [1796.8481]
_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  4  0.0070  0.2293  0.3578  1
  Tl  Tl1  2  0.0000  0.0000  0.9658  1
  Cu  Cu2  4  0.0043  0.1031  0.6430  1
  P  P3  4  0.0931  0.5086  0.0250  1
  P  P4  2  0.0000  0.0000  0.3478  1
]