data_[Pm6Er4Sc16]
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 [12.6211]
_cell_length_b [10.8672]
_cell_length_c [5.7735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3(ErSc4)2]
_chemical_formula_sum '[Pm6 Er4 Sc16]'
_cell_volume [729.8533]
_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  0.0000  0.2423  0.0000  1
  Pm  Pm1  2  0.0000  0.0000  0.5000  1
  Er  Er2  4  0.2014  0.5000  0.3434  1
  Sc  Sc3  8  0.1806  0.2583  0.6878  1
  Sc  Sc4  4  0.0651  0.5000  0.7640  1
  Sc  Sc5  4  0.1665  0.0000  0.0589  1
]