data_[Ba1Np1Te1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Np  1.3600  1.7500  1.0000
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5628]
_cell_length_b [5.8881]
_cell_length_c [5.9121]
_cell_angle_alpha [60.8181]
_cell_angle_beta [89.5560]
_cell_angle_gamma [89.1283]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaNpTeO6]
_chemical_formula_sum '[Ba1 Np1 Te1 O6]'
_cell_volume [169.0511]
_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
[
  Ba  Ba0  1  0.0069  0.0021  0.9995  1
  Np  Np1  1  0.5031  0.3302  0.3230  1
  Te  Te2  1  0.4964  0.6663  0.6261  1
  O  O3  1  0.2890  0.5745  0.0571  1
  O  O4  1  0.2969  0.9676  0.3895  1
  O  O5  1  0.3025  0.3891  0.6238  1
  O  O6  1  0.6921  0.6569  0.3523  1
  O  O7  1  0.7050  0.3372  0.0393  1
  O  O8  1  0.7080  0.0761  0.5896  1
]