data_[Y1Np2Sc1S4]
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
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6446]
_cell_length_b [3.8650]
_cell_length_c [6.7268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [YNp2ScS4]
_chemical_formula_sum '[Y1 Np2 Sc1 S4]'
_cell_volume [162.7610]
_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
[
  Y  Y0  1  0.0000  0.5000  0.5000  1
  Sc  Sc1  1  0.0000  0.0000  0.0000  1
  Np  Np2  1  0.5000  0.0000  0.5000  1
  Np  Np3  1  0.5000  0.5000  0.0000  1
  S  S4  2  0.2389  0.5000  0.2397  1
  S  S5  2  0.2443  0.0000  0.7569  1
]