data_GeAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   143.11
_cell_angle_beta   131.95
_cell_angle_gamma   62.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAs3
_chemical_formula_sum   'Ge1 As3'
_cell_volume   79.27
_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  Ge3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.78  0.0  0.77  1.0
  As  As1  1  0.0  0.3  0.07  1.0
  As  As2  1  0.0  0.0  0.83  1.0

data_GeAs3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.59
_cell_length_c   5.64
_cell_angle_alpha   114.02
_cell_angle_beta   108.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAs3
_chemical_formula_sum   'Ge1 As3'
_cell_volume   79.27
_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
  As  As1  1  0.0  0.77  0.98  1.0
  As  As2  1  0.0  0.83  0.83  1.0
  As  As3  1  0.7  0.77  0.77  1.0

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