data_[Np1Tl2Cu1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0320]
_cell_length_b [5.5834]
_cell_length_c [6.8844]
_cell_angle_alpha [113.6984]
_cell_angle_beta [106.3456]
_cell_angle_gamma [90.7287]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NpTl2CuO6]
_chemical_formula_sum '[Np1 Tl2 Cu1 O6]'
_cell_volume [168.2023]
_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
[
  Np  Np0  1  0.5000  0.5000  0.0000  1
  Tl  Tl1  2  0.3098  0.7732  0.5517  1
  Cu  Cu2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.2624  0.3419  0.6988  1
  O  O4  2  0.2665  0.2915  0.1071  1
  O  O5  2  0.2793  0.8209  0.0917  1
]