data_[Sr2Tl4P4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [10.5166]
_cell_length_b [6.0549]
_cell_length_c [7.0416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrTl2(PO3)2]
_chemical_formula_sum '[Sr2 Tl4 P4 O12]'
_cell_volume [379.9948]
_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
[
  Sr  Sr0  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl1  4  0.2168  0.5000  0.1838  1.0
  P  P2  4  0.0471  0.0000  0.1828  1.0
  O  O3  8  0.0125  0.2119  0.7664  1.0
  O  O4  4  0.2197  0.0000  0.2996  1.0
]