data_[Er4Tm4Bi4]
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 [Pmc2_1]
_cell_length_a [3.9132]
_cell_length_b [10.9019]
_cell_length_c [8.4578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [ErTmBi]
_chemical_formula_sum '[Er4 Tm4 Bi4]'
_cell_volume [360.8270]
_cell_formula_units_Z [4]
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  0.5000  0.1835  0.0229  1
  Er  Er1  2  0.5000  0.3506  0.3564  1
  Tm  Tm2  2  0.0000  0.1269  0.6647  1
  Tm  Tm3  2  0.0000  0.4434  0.0380  1
  Bi  Bi4  2  0.5000  0.0658  0.3592  1
  Bi  Bi5  2  0.5000  0.3611  0.7331  1
]