data_[Sr12Tl2Pd2]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9871]
_cell_length_b [12.9539]
_cell_length_c [7.7709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6TlPd]
_chemical_formula_sum '[Sr12 Tl2 Pd2]'
_cell_volume [768.7420]
_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  8  0.2126  0.3337  0.7407  1.0
  Sr  Sr1  4  0.2443  0.0000  0.7200  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  2  0.0000  0.5000  0.5000  1.0
]