data_GeTeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81
_cell_length_b   8.81
_cell_length_c   8.81
_cell_angle_alpha   160.23
_cell_angle_beta   160.23
_cell_angle_gamma   28.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeTeAs
_chemical_formula_sum   'Ge1 Te1 As1'
_cell_volume   78.13
_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  Ge1  1  0.0  0.0  0.15  1.0
  Te  Te2  1  0.0  0.0  0.49  1.0
  As  As0  1  0.0  0.0  0.54  1.0

data_GeTeAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   104.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeTeAs
_chemical_formula_sum   'Ge2 Te2 As2'
_cell_volume   156.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.15  0.0  0.15  1.0
  Te  Te1  2  0.49  0.0  0.49  1.0
  As  As2  2  0.04  0.5  0.54  1.0

Ge Te As