data_[Er6Tm2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [6.3200]
_cell_length_b [6.6005]
_cell_length_c [8.2001]
_cell_angle_alpha [82.2573]
_cell_angle_beta [76.8877]
_cell_angle_gamma [64.5540]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er3TmBi]
_chemical_formula_sum '[Er6 Tm2 Bi2]'
_cell_volume [300.5610]
_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  2  0.0600  0.1632  0.3309  1
  Er  Er1  2  0.1373  0.6417  0.2575  1
  Er  Er2  2  0.3292  0.9143  0.8902  1
  Tm  Tm3  2  0.4556  0.2604  0.5257  1
  Bi  Bi4  2  0.2942  0.4295  0.8889  1
]