data_[Ca6Zn4Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0174]
_cell_length_b [4.5961]
_cell_length_c [8.8395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3(ZnSn2)2]
_chemical_formula_sum '[Ca6 Zn4 Sn8]'
_cell_volume [475.0052]
_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
[
  Ca  Ca0  4  0.1204  0.5000  0.6978  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.2089  0.5000  0.3879  1.0
  Sn  Sn3  4  0.0774  0.0000  0.3856  1.0
  Sn  Sn4  4  0.2012  0.5000  0.0739  1.0
]