data_[Sm1Y3Tm7]
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 [P3m1]
_cell_length_a [6.9827]
_cell_length_b [6.9827]
_cell_length_c [8.5715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SmY3Tm7]
_chemical_formula_sum '[Sm1 Y3 Tm7]'
_cell_volume [361.9369]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.4459  1
  Y  Y1  3  0.5004  0.0008  0.7845  1
  Tm  Tm2  3  0.1677  0.8323  0.1193  1
  Tm  Tm3  3  0.3356  0.1678  0.4459  1
  Tm  Tm4  1  0.6667  0.3333  0.1200  1
]