data_[Sr2In4Hg1Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.8309]
_cell_length_b [4.8309]
_cell_length_c [10.7398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Sr2In4HgPd3]
_chemical_formula_sum '[Sr2 In4 Hg1 Pd3]'
_cell_volume [250.6401]
_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  0.0000  0.5000  0.7449  1
  In  In1  2  0.0000  0.5000  0.3651  1
  In  In2  1  0.0000  0.0000  0.0000  1
  In  In3  1  0.5000  0.5000  0.0000  1
  Hg  Hg4  1  0.5000  0.5000  0.5000  1
  Pd  Pd5  2  0.0000  0.5000  0.1188  1
  Pd  Pd6  1  0.0000  0.0000  0.5000  1
]