data_[Ba2Tl2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4932]
_cell_length_b [5.4537]
_cell_length_c [8.2454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTl(PO4)2]
_chemical_formula_sum '[Ba2 Tl2 P4 O16]'
_cell_volume [381.0265]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  P  P2  4  0.1270  0.5000  0.2824  1.0
  O  O3  8  0.0214  0.2658  0.2888  1.0
  O  O4  4  0.2009  0.5000  0.1175  1.0
  O  O5  4  0.2408  0.5000  0.4379  1.0
]