data_BaGe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGe2P
_chemical_formula_sum   'Ba1 Ge2 P1'
_cell_volume   100.28
_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  0.1  0.0  0.0  1.0
  Ge  Ge1  1  0.55  0.65  0.72  1.0
  Ge  Ge2  1  0.55  0.35  0.72  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_BaGe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   113.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGe2P
_chemical_formula_sum   'Ba1 Ge2 P1'
_cell_volume   100.28
_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  -0.0  0.1  0.0  1.0
  Ge  Ge1  1  0.72  0.55  0.35  1.0
  Ge  Ge2  1  0.72  0.55  0.65  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ba Ge Ge P
Ba Ge Ge P 0 3 o o o 1 2 o o o 