data_[Pm6Mg2Sn12]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1436]
_cell_length_b [9.6875]
_cell_length_c [10.3389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.5205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pm3MgSn6]
_chemical_formula_sum '[Pm6 Mg2 Sn12]'
_cell_volume [574.9951]
_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  4  0.2409  0.0890  0.7860  1
  Pm  Pm1  2  0.5000  0.0000  0.5000  1
  Mg  Mg2  2  0.0000  0.0000  0.0000  1
  Sn  Sn3  4  0.0560  0.1876  0.4249  1
  Sn  Sn4  4  0.2298  0.7148  0.4388  1
  Sn  Sn5  4  0.4789  0.1727  0.2012  1
]