data_[Pm1Mg4Sn5]
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 [P4/mmm]
_cell_length_a [3.7587]
_cell_length_b [3.7587]
_cell_length_c [17.6660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [PmMg4Sn5]
_chemical_formula_sum '[Pm1 Mg4 Sn5]'
_cell_volume [249.5801]
_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  1  0.0000  0.0000  0.0000  1
  Mg  Mg1  2  0.0000  0.0000  0.2095  1
  Mg  Mg2  2  0.0000  0.0000  0.4020  1
  Sn  Sn3  2  0.5000  0.5000  0.1175  1
  Sn  Sn4  2  0.5000  0.5000  0.3049  1
  Sn  Sn5  1  0.5000  0.5000  0.5000  1
]