data_[Tl4Fe2P4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  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 [9.8764]
_cell_length_b [5.8384]
_cell_length_c [6.5596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Fe(PO3)2]
_chemical_formula_sum '[Tl4 Fe2 P4 O12]'
_cell_volume [320.5202]
_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  0.2241  0.5000  0.1715  1.0
  Fe  Fe1  2  0.0000  0.5000  0.5000  1.0
  P  P2  4  0.0701  0.0000  0.2013  1.0
  O  O3  8  0.0233  0.7787  0.2792  1.0
  O  O4  4  0.2482  0.0000  0.2760  1.0
]