data_[Pm6Y1Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [7.3892]
_cell_length_b [7.3892]
_cell_length_c [9.1643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Pm6YSn6]
_chemical_formula_sum '[Pm6 Y1 Sn6]'
_cell_volume [433.3371]
_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  6  0.0000  0.5000  0.2527  1
  Y  Y1  1  0.0000  0.0000  0.0000  1
  Sn  Sn2  2  0.0000  0.0000  0.3373  1
  Sn  Sn3  2  0.3333  0.6667  0.0000  1
  Sn  Sn4  2  0.3333  0.6667  0.5000  1
]