data_Ge2BAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.92
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2BAs
_chemical_formula_sum   'Ge2 B1 As1'
_cell_volume   66.09
_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  0.38  0.46  0.47  1.0
  Ge  Ge3  1  0.38  0.46  0.71  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.09  1.0

data_Ge2BAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   2.92
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2BAs
_chemical_formula_sum   'Ge2 B1 As1'
_cell_volume   66.09
_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  0.38  0.46  0.47  1.0
  Ge  Ge1  1  0.38  0.46  0.71  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.0  0.0  0.09  1.0

Ge Ge B As