data_[Pm6Er16Sc6]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6397]
_cell_length_b [5.4518]
_cell_length_c [9.6809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3Er8Sc3]
_chemical_formula_sum '[Pm6 Er16 Sc6]'
_cell_volume [854.2266]
_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  4  0.0338  0.0000  0.7426  1
  Pm  Pm1  2  0.0000  0.5000  0.0000  1
  Er  Er2  4  0.1196  0.5000  0.3171  1
  Er  Er3  4  0.1688  0.5000  0.7312  1
  Er  Er4  4  0.1768  0.0000  0.5091  1
  Er  Er5  4  0.2408  0.5000  0.0966  1
  Sc  Sc6  4  0.1300  0.0000  0.1186  1
  Sc  Sc7  2  0.0000  0.5000  0.5000  1
]