data_[Pm6Er2Mg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3856]
_cell_length_b [5.3093]
_cell_length_c [11.3568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pm3ErMg6]
_chemical_formula_sum '[Pm6 Er2 Mg12]'
_cell_volume [545.6926]
_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  0.2463  0.2500  0.9949  1
  Pm  Pm1  2  0.3500  0.7500  0.7896  1
  Pm  Pm2  2  0.4607  0.2500  0.6048  1
  Er  Er3  2  0.0483  0.2500  0.4014  1
  Mg  Mg4  2  0.0453  0.7500  0.8953  1
  Mg  Mg5  2  0.1355  0.2500  0.6961  1
  Mg  Mg6  2  0.1457  0.7500  0.1905  1
  Mg  Mg7  2  0.2367  0.7500  0.4841  1
  Mg  Mg8  2  0.3309  0.2500  0.2935  1
  Mg  Mg9  2  0.4402  0.7500  0.0968  1
]