data_[Sm4Er12Tm20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.0167]
_cell_length_b [8.7682]
_cell_length_c [10.9971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.6414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SmEr3Tm5]
_chemical_formula_sum '[Sm4 Er12 Tm20]'
_cell_volume [1136.0858]
_cell_formula_units_Z [4]
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  0.0000  0.2509  0.7500  1
  Er  Er1  8  0.2174  0.0332  0.4658  1
  Er  Er2  4  0.0000  0.0000  0.0000  1
  Tm  Tm3  8  0.0954  0.3803  0.6105  1
  Tm  Tm4  8  0.1835  0.2880  0.1709  1
  Tm  Tm5  4  0.0000  0.3226  0.2500  1
]