data_[Ca4Mg2Si2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1528]
_cell_length_b [5.6060]
_cell_length_c [8.8252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.2994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2MgSiAu6]
_chemical_formula_sum '[Ca4 Mg2 Si2 Au12]'
_cell_volume [451.6954]
_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  0.2411  0.0000  0.7078  1
  Mg  Mg1  2  0.0000  0.5000  0.5000  1
  Si  Si2  2  0.0000  0.0000  0.0000  1
  Au  Au3  8  0.0128  0.2508  0.2515  1
  Au  Au4  4  0.2498  0.5000  0.8866  1
]