data_[Ca4In12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2605]
_cell_length_b [4.5009]
_cell_length_c [12.1957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CaIn3Au]
_chemical_formula_sum '[Ca4 In12 Au4]'
_cell_volume [508.3238]
_cell_formula_units_Z [4]
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  0.1932  0.2500  0.9966  1
  In  In1  4  0.0649  0.2500  0.5952  1
  In  In2  4  0.0852  0.7500  0.8108  1
  In  In3  4  0.1460  0.7500  0.2042  1
  Au  Au4  4  0.1221  0.2500  0.3658  1
]