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 [C2/m]
_cell_length_a [12.2622]
_cell_length_b [4.4450]
_cell_length_c [5.6782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6049]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrNiSn]
_chemical_formula_sum '[Sr4 Ni4 Sn4]'
_cell_volume [303.1701]
_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  0.1169  0.0000  0.8199  1
  Ni  Ni1  4  0.2071  0.0000  0.3841  1
  Sn  Sn2  4  0.1059  0.5000  0.3180  1
]