data_[Sr4Ni8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3997]
_cell_length_b [3.9391]
_cell_length_c [8.5547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7194]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrNi2S]
_chemical_formula_sum '[Sr4 Ni8 S4]'
_cell_volume [307.3394]
_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
[
  Sr  Sr0  2  0.3640  0.0000  0.2858  1
  Sr  Sr1  2  0.4557  0.0000  0.8511  1
  Ni  Ni2  2  0.1409  0.5000  0.6621  1
  Ni  Ni3  2  0.1557  0.0000  0.5026  1
  Ni  Ni4  2  0.1852  0.0000  0.8514  1
  Ni  Ni5  2  0.4562  0.5000  0.5790  1
  S  S6  2  0.2208  0.5000  0.4507  1
  S  S7  2  0.2822  0.5000  0.9815  1
]