data_[Ca4Tl2Ga4Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.0618]
_cell_length_b [10.0618]
_cell_length_c [3.7566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ca2TlGa2Pd5]
_chemical_formula_sum '[Ca4 Tl2 Ga4 Pd10]'
_cell_volume [380.3145]
_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  4  0.1765  0.6765  0.0000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1211  0.3789  0.0000  1.0
  Pd  Pd3  8  0.0670  0.2128  0.5000  1.0
  Pd  Pd4  2  0.0000  0.5000  0.5000  1.0
]