data_[Ca2Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5817]
_cell_length_b [4.8243]
_cell_length_c [5.7901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaAu5]
_chemical_formula_sum '[Ca2 Au10]'
_cell_volume [238.5036]
_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  2  0.0000  0.0000  0.0000  1.0
  Au  Au1  4  0.1488  0.5000  0.7430  1.0
  Au  Au2  4  0.1812  0.5000  0.2575  1.0
  Au  Au3  2  0.0000  0.0000  0.5000  1.0
]