data_[Sm2Y8In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2143]
_cell_length_b [7.0603]
_cell_length_c [9.1205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmY4In]
_chemical_formula_sum '[Sm2 Y8 In2]'
_cell_volume [379.8299]
_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  0.1550  0.7500  0.3743  1.0
  Y  Y1  4  0.3694  0.0025  0.7243  1.0
  Y  Y2  2  0.1767  0.7500  0.0025  1.0
  Y  Y3  2  0.1939  0.2500  0.3656  1.0
  In  In4  2  0.3120  0.2500  0.0026  1.0
]