data_[Pr2Np1Tl1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Np  1.3600  1.7500  1.0000
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.1305]
_cell_length_b [7.9184]
_cell_length_c [5.4805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1971]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr2NpTlO8]
_chemical_formula_sum '[Pr2 Np1 Tl1 O8]'
_cell_volume [177.8367]
_cell_formula_units_Z [1]
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
[
  Pr  Pr0  2  0.5000  0.2439  0.5000  1
  Np  Np1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  1  0.0000  0.5000  0.0000  1
  O  O3  4  0.0558  0.2024  0.7662  1
  O  O4  2  0.3909  0.5000  0.2602  1
  O  O5  2  0.4302  0.0000  0.2226  1
]