# generated using pymatgen
data_CaPr6GaI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.04470688
_cell_length_b   10.04470655
_cell_length_c   10.04470675
_cell_angle_alpha   107.14002440
_cell_angle_beta   107.14001938
_cell_angle_gamma   107.14001811
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr6GaI12
_chemical_formula_sum   'Ca1 Pr6 Ga1 I12'
_cell_volume   840.78454939
_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
  Pr  Pr1  1  0.97070855  0.89717615  0.68547066  1.0
  Pr  Pr2  1  0.02929145  0.10282385  0.31452934  1.0
  Pr  Pr3  1  0.10282385  0.31452934  0.02929145  1.0
  Pr  Pr4  1  0.31452934  0.02929145  0.10282385  1.0
  Pr  Pr5  1  0.89717615  0.68547066  0.97070855  1.0
  Pr  Pr6  1  0.68547066  0.97070855  0.89717615  1.0
  Ga  Ga7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.53536731  0.61464887  0.84145002  1.0
  I  I9  1  0.46463269  0.38535113  0.15854998  1.0
  I  I10  1  0.31717037  0.92518817  0.76887806  1.0
  I  I11  1  0.38535113  0.15854998  0.46463269  1.0
  I  I12  1  0.92518817  0.76887806  0.31717037  1.0
  I  I13  1  0.68282963  0.07481183  0.23112194  1.0
  I  I14  1  0.07481183  0.23112194  0.68282963  1.0
  I  I15  1  0.76887806  0.31717037  0.92518817  1.0
  I  I16  1  0.23112194  0.68282963  0.07481183  1.0
  I  I17  1  0.84145002  0.53536731  0.61464887  1.0
  I  I18  1  0.15854998  0.46463269  0.38535113  1.0
  I  I19  1  0.61464887  0.84145002  0.53536731  1.0