data_[Sm4Er1Tm8]
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 [Pm-3m]
_cell_length_a [7.7096]
_cell_length_b [7.7096]
_cell_length_c [7.7096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [221]
_chemical_formula_structural [Sm4ErTm8]
_chemical_formula_sum '[Sm4 Er1 Tm8]'
_cell_volume [458.2516]
_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  3  0.0000  0.5000  0.5000  1
  Sm  Sm1  1  0.0000  0.0000  0.0000  1
  Er  Er2  1  0.5000  0.5000  0.5000  1
  Tm  Tm3  8  0.2407  0.2407  0.2407  1
]