data_[Pm4Er4Sc16]
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 [Cmcm]
_cell_length_a [6.5456]
_cell_length_b [18.4982]
_cell_length_c [5.3282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PmErSc4]
_chemical_formula_sum '[Pm4 Er4 Sc16]'
_cell_volume [645.1456]
_cell_formula_units_Z [4]
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  0.3769  0.7500  1
  Er  Er1  4  0.0000  0.1265  0.2500  1
  Sc  Sc2  8  0.2455  0.0418  0.7500  1
  Sc  Sc3  8  0.2487  0.2085  0.7500  1
]