data_[Sm2Y2Tm4]
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 [Pm]
_cell_length_a [6.2646]
_cell_length_b [5.6272]
_cell_length_c [7.2471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SmYTm2]
_chemical_formula_sum '[Sm2 Y2 Tm4]'
_cell_volume [255.4730]
_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  1  0.2822  0.0000  0.8270  1
  Sm  Sm1  1  0.9468  0.5000  0.8262  1
  Y  Y2  1  0.2794  0.0000  0.3238  1
  Y  Y3  1  0.4487  0.5000  0.5733  1
  Tm  Tm4  1  0.4482  0.5000  0.0777  1
  Tm  Tm5  1  0.7769  0.0000  0.0784  1
  Tm  Tm6  1  0.7806  0.0000  0.5719  1
  Tm  Tm7  1  0.9436  0.5000  0.3242  1
]