data_[Er6Tl2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9798]
_cell_length_b [4.8089]
_cell_length_c [9.0180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er3TlBi]
_chemical_formula_sum '[Er6 Tl2 Bi2]'
_cell_volume [302.6702]
_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  0.0039  0.7500  0.2879  1.0
  Er  Er1  2  0.2614  0.7500  0.9375  1.0
  Er  Er2  2  0.4935  0.7500  0.2964  1.0
  Tl  Tl3  2  0.2478  0.2500  0.1395  1.0
  Bi  Bi4  2  0.2469  0.7500  0.5837  1.0
]