data_[Pm2Y12Er5]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7324]
_cell_length_b [8.8438]
_cell_length_c [11.3623]
_cell_angle_alpha [110.8765]
_cell_angle_beta [92.4479]
_cell_angle_gamma [100.6440]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pm2Y12Er5]
_chemical_formula_sum '[Pm2 Y12 Er5]'
_cell_volume [616.8674]
_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  2  0.1185  0.2654  0.0140  1
  Y  Y1  2  0.1098  0.6931  0.2257  1
  Y  Y2  2  0.1176  0.8526  0.7622  1
  Y  Y3  2  0.1643  0.4438  0.5858  1
  Y  Y4  2  0.3378  0.4294  0.3127  1
  Y  Y5  2  0.3474  0.0261  0.1347  1
  Y  Y6  2  0.3840  0.2193  0.7548  1
  Er  Er7  2  0.3439  0.6154  0.9311  1
  Er  Er8  2  0.4586  0.8190  0.5367  1
  Er  Er9  1  0.0000  0.0000  0.5000  1
]