data_[Y2Pa2Ni2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pa  1.5000  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2723]
_cell_length_b [5.9675]
_cell_length_c [7.5461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3222]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YPaNiS4]
_chemical_formula_sum '[Y2 Pa2 Ni2 S8]'
_cell_volume [271.0689]
_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  0.2465  0.2500  0.0572  1
  Pa  Pa1  2  0.2419  0.2500  0.5572  1
  Ni  Ni2  2  0.2397  0.7500  0.3314  1
  S  S3  4  0.0157  0.5107  0.7498  1
  S  S4  2  0.4345  0.7500  0.1205  1
  S  S5  2  0.4373  0.7500  0.6164  1
]