data_[Np2Te2P2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.6171]
_cell_length_b [6.9637]
_cell_length_c [6.7921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [NpTePO]
_chemical_formula_sum '[Np2 Te2 P2 O2]'
_cell_volume [171.0838]
_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
[
  Np  Np0  2  0.0000  0.3904  0.8787  1
  Te  Te1  2  0.5000  0.0515  0.5239  1
  P  P2  2  0.0000  0.1868  0.2980  1
  O  O3  2  0.5000  0.4793  0.0534  1
]