data_[Sm4Er10In10]
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 [C2/m]
_cell_length_a [12.0767]
_cell_length_b [5.0508]
_cell_length_c [11.8199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2(ErIn)5]
_chemical_formula_sum '[Sm4 Er10 In10]'
_cell_volume [680.3865]
_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
[
  Sm  Sm0  4  0.0750  0.0000  0.7572  1
  Er  Er1  4  0.1300  0.5000  0.2779  1
  Er  Er2  4  0.1514  0.5000  0.0026  1
  Er  Er3  2  0.0000  0.5000  0.5000  1
  In  In4  4  0.1676  0.0000  0.4680  1
  In  In5  4  0.2476  0.5000  0.7835  1
  In  In6  2  0.0000  0.0000  0.0000  1
]