data_[Tl4Sb2P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [19.8901]
_cell_length_b [4.7435]
_cell_length_c [9.7972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Tl2SbP3]
_chemical_formula_sum '[Tl4 Sb2 P6]'
_cell_volume [924.3491]
_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  0.1229  0.3557  0.9331  1
  Sb  Sb1  2  0.0000  0.3939  0.6208  1
  P  P2  4  0.0861  0.0180  0.6972  1
  P  P3  2  0.0000  0.1891  0.3030  1
]