data_[Ba2Np2Pt2Se6]
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
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7099]
_cell_length_b [4.0820]
_cell_length_c [9.5377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaNpPtSe3]
_chemical_formula_sum '[Ba2 Np2 Pt2 Se6]'
_cell_volume [311.9917]
_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
[
  Ba  Ba0  2  0.0179  0.7500  0.7595  1
  Np  Np1  2  0.4641  0.2500  0.2039  1
  Pt  Pt2  2  0.4013  0.2500  0.5034  1
  Se  Se3  2  0.2154  0.7500  0.1332  1
  Se  Se4  2  0.2316  0.7500  0.5207  1
  Se  Se5  2  0.3408  0.2500  0.8651  1
]