data_[Ca4Si5Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1018]
_cell_length_b [4.4746]
_cell_length_c [7.8230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca4Si5Au2]
_chemical_formula_sum '[Ca4 Si5 Au2]'
_cell_volume [248.4904]
_cell_formula_units_Z [1]
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  0.2449  0.5000  0.1273  1
  Ca  Ca1  2  0.2623  0.5000  0.6301  1
  Si  Si2  2  0.1244  0.0000  0.8976  1
  Si  Si3  2  0.4354  0.0000  0.3568  1
  Si  Si4  1  0.5000  0.0000  0.0000  1
  Au  Au5  2  0.0920  0.0000  0.3501  1
]