data_[Sm12Ho6In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.8764]
_cell_length_b [3.5224]
_cell_length_c [14.3683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm6Ho3In]
_chemical_formula_sum '[Sm12 Ho6 In2]'
_cell_volume [640.7688]
_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  2  0.1125  0.2500  0.4660  1
  Sm  Sm1  2  0.1888  0.7500  0.9244  1
  Sm  Sm2  2  0.2295  0.7500  0.2863  1
  Sm  Sm3  2  0.2483  0.7500  0.6963  1
  Sm  Sm4  2  0.3412  0.2500  0.1161  1
  Sm  Sm5  2  0.4902  0.2500  0.6910  1
  Ho  Ho6  2  0.0719  0.2500  0.1056  1
  Ho  Ho7  2  0.3707  0.7500  0.4990  1
  Ho  Ho8  2  0.4211  0.2500  0.9033  1
  In  In9  2  0.0321  0.2500  0.7266  1
]