data_[Ca4Sn2Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [6.7360]
_cell_length_b [6.7360]
_cell_length_c [8.0201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ca2SnAu5]
_chemical_formula_sum '[Ca4 Sn2 Au10]'
_cell_volume [363.9001]
_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  0.0000  0.5000  0.2617  1.0
  Sn  Sn1  2  0.0000  0.0000  0.8964  1.0
  Au  Au2  8  0.2158  0.7842  0.5139  1.0
  Au  Au3  2  0.0000  0.0000  0.2475  1.0
]