data_[Sm2Y4Tm16]
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
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1131]
_cell_length_b [4.9676]
_cell_length_c [12.6940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm(YTm4)2]
_chemical_formula_sum '[Sm2 Y4 Tm16]'
_cell_volume [675.8662]
_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  0.0000  0.0000  0.0000  1
  Y  Y1  4  0.1820  0.0000  0.2742  1
  Tm  Tm2  4  0.0460  0.5000  0.8173  1
  Tm  Tm3  4  0.0906  0.0000  0.6352  1
  Tm  Tm4  4  0.1355  0.5000  0.4548  1
  Tm  Tm5  4  0.2280  0.5000  0.0912  1
]