data_[Ge1Te7As4]
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 [P-3m1]
_cell_length_a [4.1234]
_cell_length_b [4.1234]
_cell_length_c [23.5297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [GeTe7As4]
_chemical_formula_sum '[Ge1 Te7 As4]'
_cell_volume [346.4633]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Te  Te1  2  0.0000  0.0000  0.2783  1.0
  Te  Te2  2  0.3333  0.6667  0.5756  1.0
  Te  Te3  2  0.3333  0.6667  0.8541  1.0
  Te  Te4  1  0.0000  0.0000  0.0000  1.0
  As  As5  2  0.3333  0.6667  0.3450  1.0
  As  As6  2  0.3333  0.6667  0.0785  1.0
]