data_[Sm2Y6Er4Bi12]
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 [7.7676]
_cell_length_b [13.4565]
_cell_length_c [7.7638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmY3(ErBi3)2]
_chemical_formula_sum '[Sm2 Y6 Er4 Bi12]'
_cell_volume [765.0751]
_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  0.0000  0.0000  1
  Y  Y1  4  0.0000  0.1646  0.5000  1
  Y  Y2  2  0.0000  0.5000  0.5000  1
  Er  Er3  4  0.0000  0.3326  0.0000  1
  Bi  Bi4  8  0.2475  0.3312  0.7496  1
  Bi  Bi5  4  0.2447  0.5000  0.2483  1
]