data_[Ba8Np4Te20Pb4]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7195]
_cell_length_b [19.8761]
_cell_length_c [14.7972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2NpTe5Pb]
_chemical_formula_sum '[Ba8 Np4 Te20 Pb4]'
_cell_volume [1388.0503]
_cell_formula_units_Z [4]
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  4  0.0000  0.1071  0.6808  1
  Ba  Ba1  4  0.0000  0.1378  0.3083  1
  Np  Np2  4  0.0000  0.2099  0.0174  1
  Te  Te3  4  0.0000  0.0624  0.0796  1
  Te  Te4  4  0.0000  0.2815  0.6552  1
  Te  Te5  4  0.0000  0.3145  0.3776  1
  Te  Te6  4  0.0000  0.3643  0.9975  1
  Te  Te7  4  0.0000  0.4884  0.7550  1
  Pb  Pb8  4  0.0000  0.4664  0.4525  1
]