data_[Pm1Tl4Pd15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1214]
_cell_length_b [4.1214]
_cell_length_c [20.3974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [PmTl4Pd15]
_chemical_formula_sum '[Pm1 Tl4 Pd15]'
_cell_volume [346.4739]
_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
[
  Pm  Pm0  1  0.0000  0.0000  0.0000  1
  Tl  Tl1  2  0.0000  0.0000  0.2044  1
  Tl  Tl2  2  0.0000  0.0000  0.4010  1
  Pd  Pd3  4  0.0000  0.5000  0.1041  1
  Pd  Pd4  4  0.0000  0.5000  0.3024  1
  Pd  Pd5  2  0.0000  0.5000  0.5000  1
  Pd  Pd6  2  0.5000  0.5000  0.2021  1
  Pd  Pd7  2  0.5000  0.5000  0.4013  1
  Pd  Pd8  1  0.5000  0.5000  0.0000  1
]