data_Mg6Ge6P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   9.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6Ge6P
_chemical_formula_sum   'Mg6 Ge6 P1'
_cell_volume   272.66
_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
  Mg  Mg6  1  0.86  0.65  0.0  1.0
  Mg  Mg7  1  0.0  0.31  0.0  1.0
  Mg  Mg8  1  0.86  0.65  0.8  1.0
  Mg  Mg9  1  0.0  0.31  0.8  1.0
  Mg  Mg10  1  0.0  0.0  0.51  1.0
  Mg  Mg11  1  0.0  0.0  0.09  1.0
  Ge  Ge0  1  0.57  0.48  0.48  1.0
  Ge  Ge1  1  0.43  0.48  0.48  1.0
  Ge  Ge2  1  0.86  0.0  0.48  1.0
  Ge  Ge3  1  0.43  0.48  0.13  1.0
  Ge  Ge4  1  0.57  0.48  0.13  1.0
  Ge  Ge5  1  0.86  0.0  0.13  1.0
  P  P12  1  0.0  0.0  0.0  1.0

data_Mg6Ge6P
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   9.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6Ge6P
_chemical_formula_sum   'Mg6 Ge6 P1'
_cell_volume   272.66
_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
  Mg  Mg0  1  0.0  0.0  0.09  1.0
  Mg  Mg1  1  0.0  0.0  0.51  1.0
  Mg  Mg2  1  0.0  0.31  0.0  1.0
  Mg  Mg3  1  0.0  0.31  0.8  1.0
  Mg  Mg4  1  0.86  0.65  -0.0  1.0
  Mg  Mg5  1  0.86  0.65  0.8  1.0
  Ge  Ge6  1  0.43  0.48  0.13  1.0
  Ge  Ge7  1  0.43  0.48  0.48  1.0
  Ge  Ge8  1  0.57  0.48  0.13  1.0
  Ge  Ge9  1  0.57  0.48  0.48  1.0
  Ge  Ge10  1  0.86  0.0  0.13  1.0
  Ge  Ge11  1  0.86  0.0  0.48  1.0
  P  P12  1  0.0  0.0  0.0  1.0

Mg Mg Mg Mg Mg Mg Ge Ge Ge Ge Ge Ge P