data_Mg8(CuP)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.75
_cell_length_b   3.76
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg8(CuP)5
_chemical_formula_sum   'Mg16 Cu10 P10'
_cell_volume   645.13
_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
  Mg  Mg10  1  0.25  0.0  0.39  1.0
  Mg  Mg11  1  0.62  0.0  0.39  1.0
  Mg  Mg12  1  0.5  0.0  0.49  1.0
  Mg  Mg13  1  0.13  0.0  0.49  1.0
  Mg  Mg14  1  0.04  0.88  0.58  1.0
  Mg  Mg15  1  0.83  0.88  0.58  1.0
  Mg  Mg16  1  0.71  0.88  0.31  1.0
  Mg  Mg17  1  0.91  0.88  0.31  1.0
  Mg  Mg18  1  0.0  0.0  0.0  1.0
  Mg  Mg19  1  0.87  0.0  0.0  1.0
  Mg  Mg20  1  0.51  0.0  0.03  1.0
  Mg  Mg21  1  0.37  0.0  0.03  1.0
  Mg  Mg22  1  0.24  0.0  0.86  1.0
  Mg  Mg23  1  0.38  0.0  0.86  1.0
  Mg  Mg24  1  0.44  0.0  0.55  1.0
  Mg  Mg25  1  0.31  0.0  0.34  1.0
  Cu  Cu0  1  0.83  0.0  0.26  1.0
  Cu  Cu1  1  0.05  0.0  0.26  1.0
  Cu  Cu2  1  0.92  0.0  0.62  1.0
  Cu  Cu3  1  0.7  0.0  0.62  1.0
  Cu  Cu4  1  0.09  0.0  0.84  1.0
  Cu  Cu5  1  0.53  0.0  0.84  1.0
  Cu  Cu6  1  0.66  0.0  0.05  1.0
  Cu  Cu7  1  0.22  0.0  0.05  1.0
  Cu  Cu8  1  0.44  0.88  0.85  1.0
  Cu  Cu9  1  0.31  0.88  0.04  1.0
  P  P26  1  0.63  0.88  0.32  1.0
  P  P27  1  0.25  0.88  0.32  1.0
  P  P28  1  0.12  0.88  0.57  1.0
  P  P29  1  0.5  0.88  0.57  1.0
  P  P30  1  0.23  0.88  0.63  1.0
  P  P31  1  0.4  0.88  0.63  1.0
  P  P32  1  0.52  0.88  0.26  1.0
  P  P33  1  0.35  0.88  0.26  1.0
  P  P34  1  0.44  0.88  0.25  1.0
  P  P35  1  0.31  0.88  0.64  1.0

data_Mg8(CuP)5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   7.89
_cell_length_c   21.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg8(CuP)5
_chemical_formula_sum   'Mg16 Cu10 P10'
_cell_volume   645.13
_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
  Mg  Mg0  1  0.0  -0.0  0.87  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.0  0.03  0.37  1.0
  Mg  Mg3  1  0.0  0.03  0.51  1.0
  Mg  Mg4  1  0.0  0.34  0.31  1.0
  Mg  Mg5  1  0.0  0.39  0.25  1.0
  Mg  Mg6  1  0.0  0.39  0.62  1.0
  Mg  Mg7  1  0.0  0.49  0.13  1.0
  Mg  Mg8  1  0.0  0.49  0.5  1.0
  Mg  Mg9  1  0.0  0.55  0.44  1.0
  Mg  Mg10  1  0.0  0.86  0.24  1.0
  Mg  Mg11  1  0.0  0.86  0.38  1.0
  Mg  Mg12  1  0.88  0.31  0.71  1.0
  Mg  Mg13  1  0.88  0.31  0.91  1.0
  Mg  Mg14  1  0.88  0.58  0.04  1.0
  Mg  Mg15  1  0.88  0.58  0.83  1.0
  Cu  Cu16  1  0.0  0.05  0.22  1.0
  Cu  Cu17  1  0.0  0.05  0.66  1.0
  Cu  Cu18  1  0.0  0.26  0.05  1.0
  Cu  Cu19  1  0.0  0.26  0.83  1.0
  Cu  Cu20  1  0.0  0.62  0.7  1.0
  Cu  Cu21  1  0.0  0.62  0.92  1.0
  Cu  Cu22  1  0.0  0.84  0.09  1.0
  Cu  Cu23  1  0.0  0.84  0.53  1.0
  Cu  Cu24  1  0.88  0.04  0.31  1.0
  Cu  Cu25  1  0.88  0.85  0.44  1.0
  P  P26  1  0.88  0.25  0.44  1.0
  P  P27  1  0.88  0.26  0.35  1.0
  P  P28  1  0.88  0.26  0.52  1.0
  P  P29  1  0.88  0.32  0.25  1.0
  P  P30  1  0.88  0.32  0.63  1.0
  P  P31  1  0.88  0.57  0.12  1.0
  P  P32  1  0.88  0.57  0.5  1.0
  P  P33  1  0.88  0.63  0.23  1.0
  P  P34  1  0.88  0.63  0.4  1.0
  P  P35  1  0.88  0.64  0.31  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu P P P P P P P P P P