data_[Cr6Ni2Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [5.4796]
_cell_length_b [9.5948]
_cell_length_c [9.3654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [21]
_chemical_formula_structural [Cr3NiSn8]
_chemical_formula_sum '[Cr6 Ni2 Sn16]'
_cell_volume [492.3933]
_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
[
  Cr  Cr0  2  0.0000  0.0000  0.0000  1
  Cr  Cr1  2  0.0000  0.0000  0.5000  1
  Cr  Cr2  2  0.0000  0.5000  0.5000  1
  Ni  Ni3  2  0.0000  0.5000  0.0000  1
  Sn  Sn4  8  0.2500  0.0878  0.2480  1
  Sn  Sn5  4  0.2500  0.2500  0.5880  1
  Sn  Sn6  4  0.2500  0.2500  0.9158  1
]