data_[Sm4Y6Er2Bi12]
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
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8072]
_cell_length_b [13.5250]
_cell_length_c [7.8009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Y3ErBi6]
_chemical_formula_sum '[Sm4 Y6 Er2 Bi12]'
_cell_volume [776.7181]
_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  4  0.0000  0.3342  0.0000  1.0
  Y  Y1  4  0.0000  0.1690  0.5000  1.0
  Y  Y2  2  0.0000  0.5000  0.5000  1.0
  Er  Er3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  8  0.2480  0.1646  0.2515  1.0
  Bi  Bi5  4  0.2438  0.0000  0.7460  1.0
]