data_[Sr4Hg2P2Pd12]
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
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.7294]
_cell_length_b [9.0145]
_cell_length_c [8.3307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sr2HgPPd6]
_chemical_formula_sum '[Sr4 Hg2 P2 Pd12]'
_cell_volume [430.2615]
_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
[
  Sr  Sr0  4  0.0000  0.2249  0.2795  1.0
  Hg  Hg1  2  0.0000  0.5000  0.6998  1.0
  P  P2  2  0.0000  0.0000  0.7918  1.0
  Pd  Pd3  4  0.0000  0.2457  0.8997  1.0
  Pd  Pd4  4  0.2357  0.5000  0.9980  1.0
  Pd  Pd5  4  0.2471  0.5000  0.4206  1.0
]