data_[Er12Bi4Te2As6]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5476]
_cell_length_b [4.2169]
_cell_length_c [8.5387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Bi2TeAs3]
_chemical_formula_sum '[Er12 Bi4 Te2 As6]'
_cell_volume [647.2229]
_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  0.0053  0.0000  0.7333  1
  Er  Er1  4  0.1612  0.5000  0.5969  1
  Er  Er2  4  0.1728  0.5000  0.0699  1
  Bi  Bi3  4  0.1663  0.0000  0.3323  1
  Te  Te4  2  0.0000  0.5000  0.0000  1
  As  As5  4  0.1657  0.0000  0.8340  1
  As  As6  2  0.0000  0.5000  0.5000  1
]