data_[Pm2Nd6Er12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.0420]
_cell_length_b [3.5319]
_cell_length_c [14.3247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pm(NdEr2)3]
_chemical_formula_sum '[Pm2 Nd6 Er12]'
_cell_volume [649.2387]
_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  2  0.0404  0.2500  0.7203  1
  Nd  Nd1  2  0.0756  0.2500  0.1003  1
  Nd  Nd2  2  0.3716  0.7500  0.4960  1
  Nd  Nd3  2  0.4208  0.2500  0.9020  1
  Er  Er4  2  0.1201  0.2500  0.4867  1
  Er  Er5  2  0.1939  0.7500  0.9258  1
  Er  Er6  2  0.2215  0.7500  0.2865  1
  Er  Er7  2  0.2712  0.7500  0.7000  1
  Er  Er8  2  0.3454  0.2500  0.1226  1
  Er  Er9  2  0.4993  0.7500  0.3093  1
]