data_[Sr4Hg5Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9738]
_cell_length_b [4.1877]
_cell_length_c [9.7846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr4Hg5Pd2]
_chemical_formula_sum '[Sr4 Hg5 Pd2]'
_cell_volume [326.6996]
_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
[
  Sr  Sr0  2  0.2057  0.5000  0.8503  1.0
  Sr  Sr1  2  0.2270  0.5000  0.4122  1.0
  Hg  Hg2  2  0.1411  0.0000  0.1315  1.0
  Hg  Hg3  2  0.4306  0.0000  0.6512  1.0
  Hg  Hg4  1  0.5000  0.0000  0.0000  1.0
  Pd  Pd5  2  0.0696  0.0000  0.6331  1.0
]