data_GaGe2P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   6.76
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   92.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGe2P5
_chemical_formula_sum   'Ga2 Ge4 P10'
_cell_volume   300.7
_cell_formula_units_Z   2
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
  Ga  Ga0  1  0.08  0.07  0.96  1.0
  Ga  Ga1  1  0.66  0.69  0.75  1.0
  Ge  Ge2  1  0.35  0.07  0.19  1.0
  Ge  Ge3  1  0.38  0.69  0.51  1.0
  Ge  Ge4  1  0.1  0.07  0.57  1.0
  Ge  Ge5  1  0.64  0.69  0.13  1.0
  P  P6  1  0.7  0.4  0.35  1.0
  P  P7  1  0.04  0.02  0.35  1.0
  P  P8  1  0.04  0.35  0.35  1.0
  P  P9  1  0.7  0.73  0.35  1.0
  P  P10  1  0.97  0.03  0.07  1.0
  P  P11  1  0.76  0.41  0.64  1.0
  P  P12  1  0.76  0.72  0.64  1.0
  P  P13  1  0.97  0.34  0.07  1.0
  P  P14  1  0.92  0.07  0.26  1.0
  P  P15  1  0.82  0.69  0.44  1.0

data_GaGe2P5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.11
_cell_length_b   6.76
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   92.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GaGe2P5
_chemical_formula_sum   'Ga2 Ge4 P10'
_cell_volume   300.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ga  Ga0  2  0.29  0.31  0.39  1.0
  Ge  Ge1  2  0.01  0.31  0.16  1.0
  Ge  Ge2  2  0.27  0.31  0.78  1.0
  P  P3  2  0.33  0.35  1.0  1.0
  P  P4  2  0.33  0.02  1.0  1.0
  P  P5  2  0.4  0.34  0.28  1.0
  P  P6  2  0.4  0.03  0.28  1.0
  P  P7  2  0.45  0.31  0.09  1.0

Ga Ga Ge Ge Ge Ge P P P P P P P P P P