data_[Sm8Tm6In2]
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 [Pmn2_1]
_cell_length_a [11.2331]
_cell_length_b [7.0686]
_cell_length_c [6.1926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Sm4Tm3In]
_chemical_formula_sum '[Sm8 Tm6 In2]'
_cell_volume [491.7019]
_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  0.2321  0.1326  0.9901  1.0
  Sm  Sm1  2  0.0000  0.1340  0.6233  1.0
  Sm  Sm2  2  0.0000  0.8698  0.1711  1.0
  Tm  Tm3  4  0.2464  0.6157  0.9702  1.0
  Tm  Tm4  2  0.0000  0.6282  0.6497  1.0
  In  In5  2  0.0000  0.3928  0.1505  1.0
]