data_[Ba8Np4Mn4Te20]
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
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6348]
_cell_length_b [20.0337]
_cell_length_c [14.0902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2NpMnTe5]
_chemical_formula_sum '[Ba8 Np4 Mn4 Te20]'
_cell_volume [1308.2976]
_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  0.1194  0.3320  1
  Ba  Ba1  4  0.0000  0.1199  0.6938  1
  Np  Np2  4  0.0000  0.1976  0.0211  1
  Mn  Mn3  4  0.0000  0.4356  0.4326  1
  Te  Te4  4  0.0000  0.0419  0.0279  1
  Te  Te5  4  0.0000  0.3019  0.6645  1
  Te  Te6  4  0.0000  0.3043  0.3710  1
  Te  Te7  4  0.0000  0.3484  0.0133  1
  Te  Te8  4  0.0000  0.4993  0.2677  1
]