data_[Pm2Sc2Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0071]
_cell_length_b [4.5210]
_cell_length_c [5.7975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmScSn2]
_chemical_formula_sum '[Pm2 Sc2 Sn4]'
_cell_volume [216.0382]
_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  2  0.0000  0.5000  0.5000  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  Sn  Sn2  4  0.2400  0.5000  0.2082  1
]