data_[Ca3Zn2In2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6982]
_cell_length_b [4.6982]
_cell_length_c [13.5341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ca3Zn2(InAu2)2]
_chemical_formula_sum '[Ca3 Zn2 In2 Au4]'
_cell_volume [258.7127]
_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  0.0000  0.0000  0.2647  1.0
  Ca  Ca1  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  2  0.3333  0.6667  0.8569  1.0
  In  In3  2  0.3333  0.6667  0.4266  1.0
  Au  Au4  2  0.3333  0.6667  0.1290  1.0
  Au  Au5  2  0.3333  0.6667  0.6353  1.0
]