data_[Ca2In2Pd3Au1]
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
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.6539]
_cell_length_b [4.6539]
_cell_length_c [9.0801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ca2In2Pd3Au]
_chemical_formula_sum '[Ca2 In2 Pd3 Au1]'
_cell_volume [170.3166]
_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  1  0.0000  0.0000  0.2516  1
  Ca  Ca1  1  0.6667  0.3333  0.7461  1
  In  In2  1  0.3333  0.6667  0.0148  1
  In  In3  1  0.3333  0.6667  0.4982  1
  Pd  Pd4  1  0.0000  0.0000  0.5796  1
  Pd  Pd5  1  0.6667  0.3333  0.0861  1
  Pd  Pd6  1  0.6667  0.3333  0.4177  1
  Au  Au7  1  0.0000  0.0000  0.9058  1
]