data_[Pm12Mg4Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1606]
_cell_length_b [3.6637]
_cell_length_c [8.3757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9670]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3MgSc]
_chemical_formula_sum '[Pm12 Mg4 Sc4]'
_cell_volume [602.8697]
_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  0.0110  0.0000  0.2864  1
  Pm  Pm1  4  0.1045  0.5000  0.0249  1
  Pm  Pm2  4  0.1879  0.0000  0.3715  1
  Mg  Mg3  4  0.1089  0.5000  0.6044  1
  Sc  Sc4  4  0.2163  0.0000  0.8433  1
]