data_[Pm12Y8Zr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [8.7908]
_cell_length_b [8.7908]
_cell_length_c [9.2440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [128]
_chemical_formula_structural [Pm6Y4Zr]
_chemical_formula_sum '[Pm12 Y8 Zr2]'
_cell_volume [714.3634]
_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
[
  Pm  Pm0  8  0.1462  0.3456  0.5000  1
  Pm  Pm1  4  0.0000  0.0000  0.1757  1
  Y  Y2  8  0.1484  0.6484  0.2500  1
  Zr  Zr3  2  0.0000  0.0000  0.5000  1
]