data_[Sr4Tl2As2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.6905]
_cell_length_b [9.0139]
_cell_length_c [8.7273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sr2TlAsPd6]
_chemical_formula_sum '[Sr4 Tl2 As2 Pd12]'
_cell_volume [447.6542]
_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  0.2448  0.2719  1.0
  Tl  Tl1  2  0.0000  0.5000  0.7199  1.0
  As  As2  2  0.0000  0.0000  0.7701  1.0
  Pd  Pd3  4  0.0000  0.2477  0.9081  1.0
  Pd  Pd4  4  0.2430  0.5000  0.9971  1.0
  Pd  Pd5  4  0.2491  0.5000  0.4572  1.0
]