data_[Sm12Tm20In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5670]
_cell_length_b [11.2026]
_cell_length_c [11.1496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3Tm5In]
_chemical_formula_sum '[Sm12 Tm20 In4]'
_cell_volume [1319.8652]
_cell_formula_units_Z [4]
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  0.1560  0.0000  0.2577  1
  Sm  Sm1  4  0.1720  0.5000  0.4944  1
  Sm  Sm2  2  0.0000  0.0000  0.0000  1
  Sm  Sm3  2  0.0000  0.0000  0.5000  1
  Tm  Tm4  8  0.2412  0.2412  0.8021  1
  Tm  Tm5  4  0.0000  0.2841  0.0000  1
  Tm  Tm6  4  0.0046  0.5000  0.7738  1
  Tm  Tm7  4  0.2039  0.5000  0.0033  1
  In  In8  4  0.1463  0.0000  0.7418  1
]