data_GeTeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   3.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeTeAs2
_chemical_formula_sum   'Ge1 Te1 As2'
_cell_volume   88.39
_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  Ge2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.13  0.0  0.0  1.0
  As  As0  1  0.57  0.12  0.88  1.0
  As  As1  1  0.57  0.88  0.88  1.0

data_GeTeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   100.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeTeAs2
_chemical_formula_sum   'Ge1 Te1 As2'
_cell_volume   88.39
_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  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.13  0.0  1.0
  As  As2  1  0.88  0.57  0.12  1.0
  As  As3  1  0.88  0.57  0.88  1.0

Ge Te As As
Ge Te As As 0 1 o o o 2 3 o - o 