data_[Tm2Np1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Np  1.3600  1.7500  1.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2117]
_cell_length_b [6.2000]
_cell_length_c [6.5633]
_cell_angle_alpha [71.1326]
_cell_angle_beta [85.4538]
_cell_angle_gamma [72.0607]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tm2NpO8]
_chemical_formula_sum '[Tm2 Np1 O8]'
_cell_volume [154.2509]
_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
[
  Tm  Tm0  2  0.1681  0.6484  0.6093  1
  Np  Np1  1  0.5000  0.0000  0.0000  1
  O  O2  2  0.1337  0.9662  0.2872  1
  O  O3  2  0.1827  0.8829  0.8282  1
  O  O4  2  0.2892  0.3252  0.9268  1
  O  O5  2  0.3179  0.3569  0.4757  1
]