data_[Er2Bi6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.0701]
_cell_length_b [4.3754]
_cell_length_c [13.1750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er(BiTe2)3]
_chemical_formula_sum '[Er2 Bi6 Te12]'
_cell_volume [709.9845]
_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  0.3084  0.2500  0.9598  1.0
  Bi  Bi1  2  0.0987  0.7500  0.1485  1.0
  Bi  Bi2  2  0.1605  0.2500  0.5612  1.0
  Bi  Bi3  2  0.4667  0.7500  0.7020  1.0
  Te  Te4  2  0.0736  0.7500  0.3962  1.0
  Te  Te5  2  0.1119  0.7500  0.9253  1.0
  Te  Te6  2  0.2653  0.7500  0.7656  1.0
  Te  Te7  2  0.2658  0.2500  0.1893  1.0
  Te  Te8  2  0.3821  0.2500  0.5298  1.0
  Te  Te9  2  0.4687  0.7500  0.0968  1.0
]