data_[Sr4Ni4Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6065]
_cell_length_b [6.6540]
_cell_length_c [8.1180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrNiSn]
_chemical_formula_sum '[Sr4 Ni4 Sn4]'
_cell_volume [299.4988]
_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  0.2057  0.6454  0.4128  1.0
  Ni  Ni1  4  0.3808  0.0888  0.3329  1.0
  Sn  Sn2  4  0.2672  0.1418  0.5805  1.0
]