data_CaMg9Zn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.4
_cell_length_b   10.4
_cell_length_c   10.4
_cell_angle_alpha   32.99
_cell_angle_beta   32.99
_cell_angle_gamma   32.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg9Zn2
_chemical_formula_sum   'Ca1 Mg9 Zn2'
_cell_volume   297.04
_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
  Ca  Ca0  1  0.0  0.0  0.74  1.0
  Mg  Mg1  1  0.0  0.0  0.56  1.0
  Mg  Mg2  1  0.0  0.0  0.92  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Mg  Mg4  1  0.53  0.85  0.46  1.0
  Mg  Mg5  1  0.0  0.31  0.46  1.0
  Mg  Mg6  1  0.47  0.85  0.46  1.0
  Mg  Mg7  1  0.47  0.15  0.02  1.0
  Mg  Mg8  1  0.53  0.15  0.02  1.0
  Mg  Mg9  1  0.0  0.69  0.02  1.0
  Zn  Zn10  1  0.0  0.0  0.14  1.0
  Zn  Zn11  1  0.0  0.0  0.34  1.0

data_CaMg9Zn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   10.4
_cell_angle_alpha   73.5
_cell_angle_beta   73.5
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg9Zn2
_chemical_formula_sum   'Ca1 Mg9 Zn2'
_cell_volume   297.04
_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
  Ca  Ca0  1  0.0  0.26  0.74  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.0  0.08  0.92  1.0
  Mg  Mg3  1  0.0  0.44  0.56  1.0
  Mg  Mg4  1  0.15  0.54  0.84  1.0
  Mg  Mg5  1  0.15  0.54  0.77  1.0
  Mg  Mg6  1  0.31  0.98  0.71  1.0
  Mg  Mg7  1  0.69  0.54  0.77  1.0
  Mg  Mg8  1  0.85  0.98  0.64  1.0
  Mg  Mg9  1  0.85  0.98  0.71  1.0
  Zn  Zn10  1  0.0  0.66  0.34  1.0
  Zn  Zn11  1  0.0  0.86  0.14  1.0

Ca Mg Mg Mg Mg Mg Mg Mg Mg Mg Zn Zn
Ca Mg Mg Mg Mg Mg Mg Mg Mg Mg Zn Zn 0 9 o - + 0 1 o o o 0 5 o o o 0 2 o o o 1 11 o o o 2 3 o o + 3 10 o o o 4 6 o o o 7 8 o o o 10 11 o o o 