# generated using pymatgen
data_CaNd6ZnI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.90829733
_cell_length_b   9.90829656
_cell_length_c   9.90829729
_cell_angle_alpha   106.93624078
_cell_angle_beta   106.93623299
_cell_angle_gamma   106.93623177
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNd6ZnI12
_chemical_formula_sum   'Ca1 Nd6 Zn1 I12'
_cell_volume   811.51271118
_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  0.50000000  0.50000000  0.50000000  1.0
  Nd  Nd1  1  0.97139554  0.89840581  0.68290104  1.0
  Nd  Nd2  1  0.02860446  0.10159419  0.31709896  1.0
  Nd  Nd3  1  0.10159419  0.31709896  0.02860446  1.0
  Nd  Nd4  1  0.31709896  0.02860446  0.10159419  1.0
  Nd  Nd5  1  0.89840581  0.68290104  0.97139554  1.0
  Nd  Nd6  1  0.68290104  0.97139554  0.89840581  1.0
  Zn  Zn7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.53658699  0.61544826  0.84470778  1.0
  I  I9  1  0.46341301  0.38455174  0.15529222  1.0
  I  I10  1  0.31700164  0.92448196  0.76551308  1.0
  I  I11  1  0.38455174  0.15529222  0.46341301  1.0
  I  I12  1  0.92448196  0.76551308  0.31700164  1.0
  I  I13  1  0.68299836  0.07551804  0.23448692  1.0
  I  I14  1  0.07551804  0.23448692  0.68299836  1.0
  I  I15  1  0.76551308  0.31700164  0.92448196  1.0
  I  I16  1  0.23448692  0.68299836  0.07551804  1.0
  I  I17  1  0.84470778  0.53658699  0.61544826  1.0
  I  I18  1  0.15529222  0.46341301  0.38455174  1.0
  I  I19  1  0.61544826  0.84470778  0.53658699  1.0