data_[Er10Sc4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.2908]
_cell_length_b [4.2471]
_cell_length_c [7.5576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er5(ScBi2)2]
_chemical_formula_sum '[Er10 Sc4 Bi8]'
_cell_volume [662.1910]
_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
[
  Er  Er0  4  0.1395  0.0000  0.9558  1
  Er  Er1  4  0.1761  0.0000  0.4546  1
  Er  Er2  2  0.0000  0.5000  0.0000  1
  Sc  Sc3  4  0.0740  0.5000  0.6144  1
  Bi  Bi4  4  0.0272  0.0000  0.3032  1
  Bi  Bi5  4  0.2192  0.5000  0.7675  1
]