data_[Pm4Er1Sn5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5051]
_cell_length_b [3.5051]
_cell_length_c [22.5052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pm4ErSn5]
_chemical_formula_sum '[Pm4 Er1 Sn5]'
_cell_volume [276.4872]
_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  2  0.0000  0.0000  0.1976  1
  Pm  Pm1  2  0.0000  0.0000  0.3988  1
  Er  Er2  1  0.0000  0.0000  0.0000  1
  Sn  Sn3  2  0.5000  0.5000  0.0954  1
  Sn  Sn4  2  0.5000  0.5000  0.2981  1
  Sn  Sn5  1  0.5000  0.5000  0.5000  1
]