data_[Er12Ge2Te6As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ge  2.0100  1.2500  0.7700
  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 [7.2412]
_cell_length_b [12.5447]
_cell_length_c [7.4117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6GeTe3As2]
_chemical_formula_sum '[Er12 Ge2 Te6 As4]'
_cell_volume [636.8789]
_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  8  0.2375  0.1652  0.2177  1.0
  Er  Er1  4  0.2422  0.5000  0.2183  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0000  0.1676  0.5000  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  As  As5  4  0.0000  0.3336  0.0000  1.0
]