data_BaGe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.54
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   92.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGe2As
_chemical_formula_sum   'Ba1 Ge2 As1'
_cell_volume   115.46
_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
  Ba  Ba1  1  0.88  0.27  0.26  1.0
  Ge  Ge2  1  0.74  0.0  0.39  1.0
  Ge  Ge3  1  0.64  0.27  0.38  1.0
  As  As0  1  0.18  0.0  0.84  1.0

data_BaGe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.54
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   92.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGe2As
_chemical_formula_sum   'Ba1 Ge2 As1'
_cell_volume   115.46
_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
  Ba  Ba0  1  0.88  0.27  0.26  1.0
  Ge  Ge1  1  0.64  0.27  0.38  1.0
  Ge  Ge2  1  0.74  0.0  0.39  1.0
  As  As3  1  0.18  0.0  0.84  1.0

Ba Ge Ge As