data_[Er12Si2Te6As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  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 [18.4791]
_cell_length_b [4.1659]
_cell_length_c [8.5103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6SiTe3As2]
_chemical_formula_sum '[Er12 Si2 Te6 As4]'
_cell_volume [633.2644]
_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  0.0056  0.0000  0.2270  1.0
  Er  Er1  4  0.1566  0.5000  0.0976  1.0
  Er  Er2  4  0.1735  0.5000  0.5658  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.1685  0.0000  0.8328  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  As  As6  4  0.1669  0.0000  0.3339  1.0
]