data_[Sr4Ni4S4]
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 [C2/m]
_cell_length_a [10.9265]
_cell_length_b [4.0539]
_cell_length_c [5.9656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrNiS]
_chemical_formula_sum '[Sr4 Ni4 S4]'
_cell_volume [263.7465]
_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  4  0.1395  0.5000  0.2466  1
  Ni  Ni1  4  0.0807  0.0000  0.6802  1
  S  S2  4  0.1393  0.5000  0.7444  1
]