data_[Pm3Er6Sc1]
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 [P-1]
_cell_length_a [6.0850]
_cell_length_b [6.1145]
_cell_length_c [9.3036]
_cell_angle_alpha [71.1640]
_cell_angle_beta [71.0406]
_cell_angle_gamma [80.5257]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pm3Er6Sc]
_chemical_formula_sum '[Pm3 Er6 Sc1]'
_cell_volume [309.1553]
_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  0.0040  0.6002  0.7956  1
  Pm  Pm1  1  0.0000  0.0000  0.0000  1
  Er  Er2  2  0.0008  0.7965  0.4028  1
  Er  Er3  2  0.4990  0.0982  0.3037  1
  Er  Er4  2  0.4993  0.6985  0.1030  1
  Sc  Sc5  1  0.5000  0.5000  0.5000  1
]