data_[Y2Np2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7170]
_cell_length_b [3.9015]
_cell_length_c [7.7761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YNpS3]
_chemical_formula_sum '[Y2 Np2 S6]'
_cell_volume [233.6084]
_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
[
  Y  Y0  2  0.2367  0.7500  0.3778  1
  Np  Np1  2  0.3195  0.7500  0.8528  1
  S  S2  2  0.0145  0.7500  0.6755  1
  S  S3  2  0.3214  0.2500  0.1053  1
  S  S4  2  0.3807  0.2500  0.6175  1
]