data_[Sm5Er1In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5705]
_cell_length_b [3.5705]
_cell_length_c [22.6352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sm5ErIn4]
_chemical_formula_sum '[Sm5 Er1 In4]'
_cell_volume [288.5676]
_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  2  0.5000  0.5000  0.1125  1.0
  Sm  Sm1  2  0.5000  0.5000  0.3060  1.0
  Sm  Sm2  1  0.5000  0.5000  0.5000  1.0
  Er  Er3  1  0.0000  0.0000  0.0000  1.0
  In  In4  2  0.0000  0.0000  0.2098  1.0
  In  In5  2  0.0000  0.0000  0.4029  1.0
]