data_[Be4Tl4P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  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 [Pna2_1]
_cell_length_a [9.4545]
_cell_length_b [8.1860]
_cell_length_c [4.9275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [BeTlPO4]
_chemical_formula_sum '[Be4 Tl4 P4 O16]'
_cell_volume [381.3592]
_cell_formula_units_Z [4]
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
[
  Be  Be0  4  0.1482  0.8845  0.4656  1
  Tl  Tl1  4  0.0329  0.6561  0.9716  1
  P  P2  4  0.1708  0.0804  0.9659  1
  O  O3  4  0.0214  0.1564  0.9958  1
  O  O4  4  0.1859  0.9278  0.1507  1
  O  O5  4  0.2000  0.0298  0.6685  1
  O  O6  4  0.2191  0.7095  0.5529  1
]