data_[Pm1Pa1Pd14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pa  1.5000  1.8000  1.0400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8577]
_cell_length_b [5.8577]
_cell_length_c [7.8146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [PmPaPd14]
_chemical_formula_sum '[Pm1 Pa1 Pd14]'
_cell_volume [268.1348]
_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  0.5000  1
  Pa  Pa1  1  0.5000  0.5000  0.5000  1
  Pd  Pd2  8  0.2557  0.2557  0.2437  1
  Pd  Pd3  2  0.0000  0.5000  0.0000  1
  Pd  Pd4  2  0.0000  0.5000  0.5000  1
  Pd  Pd5  1  0.0000  0.0000  0.0000  1
  Pd  Pd6  1  0.5000  0.5000  0.0000  1
]