data_[Pm3Sc6Zn27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3356]
_cell_length_b [5.3356]
_cell_length_c [25.3432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PmSc2Zn9]
_chemical_formula_sum '[Pm3 Sc6 Zn27]'
_cell_volume [624.8304]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Sc  Sc1  6  0.0000  0.0000  0.1432  1
  Zn  Zn2  18  0.0079  0.5040  0.9144  1
  Zn  Zn3  6  0.0000  0.0000  0.3351  1
  Zn  Zn4  3  -0.0000  -0.0000  0.5000  1
]