data_[Ge6Te6As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [5.1999]
_cell_length_b [20.0808]
_cell_length_c [16.8570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ge3Te3As2]
_chemical_formula_sum '[Ge6 Te6 As4]'
_cell_volume [1760.1798]
_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
[
  Ge  Ge0  4  0.3392  0.6051  0.4568  1
  Ge  Ge1  2  0.1253  0.0000  0.4728  1
  Te  Te2  4  0.1014  0.1746  0.5670  1
  Te  Te3  2  0.1135  0.5000  0.5481  1
  As  As4  4  0.0224  0.2742  0.4657  1
]