data_[Ca4Sn8Ir2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.6726]
_cell_length_b [4.3826]
_cell_length_c [11.0150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ca2Sn4IrPd]
_chemical_formula_sum '[Ca4 Sn8 Ir2 Pd2]'
_cell_volume [370.3905]
_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  0.0000  0.0000  0.5680  1
  Ca  Ca1  2  0.5000  0.0000  0.4329  1
  Sn  Sn2  4  0.2012  0.0000  0.8561  1
  Sn  Sn3  4  0.2929  0.0000  0.1428  1
  Ir  Ir4  2  0.0000  0.0000  0.2905  1
  Pd  Pd5  2  0.5000  0.0000  0.7108  1
]