data_[Ca4Hg2Pd2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0025]
_cell_length_b [4.7999]
_cell_length_c [7.6824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2HgPdAu]
_chemical_formula_sum '[Ca4 Hg2 Pd2 Au2]'
_cell_volume [247.8408]
_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  2  0.1644  0.2500  0.3444  1.0
  Ca  Ca1  2  0.3015  0.2500  0.9215  1.0
  Hg  Hg2  2  0.3218  0.7500  0.6607  1.0
  Pd  Pd3  2  0.4616  0.7500  0.3501  1.0
  Au  Au4  2  0.1253  0.7500  0.0568  1.0
]