data_[Sm2Er4Tm6Bi12]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3755]
_cell_length_b [4.4648]
_cell_length_c [8.9528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3458]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmEr2(TmBi2)3]
_chemical_formula_sum '[Sm2 Er4 Tm6 Bi12]'
_cell_volume [753.5762]
_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  0.5000  0.0000  1.0
  Er  Er1  4  0.1672  0.0000  0.3334  1.0
  Tm  Tm2  4  0.1654  0.0000  0.8324  1.0
  Tm  Tm3  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi4  4  0.0005  0.0000  0.2563  1.0
  Bi  Bi5  4  0.1663  0.5000  0.5836  1.0
  Bi  Bi6  4  0.1692  0.5000  0.0837  1.0
]