data_[Sm1Er1Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [4.7251]
_cell_length_b [4.7251]
_cell_length_c [9.4692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [SmErSn6]
_chemical_formula_sum '[Sm1 Er1 Sn6]'
_cell_volume [211.4136]
_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
[
  Sm  Sm0  1  0.0000  0.0000  0.0000  1
  Er  Er1  1  0.0000  0.0000  0.5000  1
  Sn  Sn2  4  0.0000  0.5000  0.2544  1
  Sn  Sn3  1  0.5000  0.5000  0.0000  1
  Sn  Sn4  1  0.5000  0.5000  0.5000  1
]