# generated using pymatgen
data_CaNd6OsI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99893652
_cell_length_b   9.99893481
_cell_length_c   9.99893493
_cell_angle_alpha   107.01241772
_cell_angle_beta   107.01241628
_cell_angle_gamma   107.01241114
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNd6OsI12
_chemical_formula_sum   'Ca1 Nd6 Os1 I12'
_cell_volume   832.26150481
_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  0.30433334  0.09909081  0.02671094  1.0
  Nd  Nd2  1  0.02671094  0.30433334  0.09909081  1.0
  Nd  Nd3  1  0.09909081  0.02670994  0.30433334  1.0
  Nd  Nd4  1  0.90090919  0.97329006  0.69566766  1.0
  Nd  Nd5  1  0.97328906  0.69566766  0.90091019  1.0
  Nd  Nd6  1  0.69566766  0.90090919  0.97329006  1.0
  Os  Os7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.68214233  0.22834350  0.07227197  1.0
  I  I9  1  0.38372089  0.46212296  0.15687557  1.0
  I  I10  1  0.07227197  0.68214133  0.22834450  1.0
  I  I11  1  0.77165650  0.92772903  0.31785767  1.0
  I  I12  1  0.46212296  0.15687557  0.38372089  1.0
  I  I13  1  0.15687557  0.38372089  0.46212296  1.0
  I  I14  1  0.84312443  0.61628011  0.53787704  1.0
  I  I15  1  0.53787704  0.84312543  0.61627911  1.0
  I  I16  1  0.22834450  0.07227197  0.68214233  1.0
  I  I17  1  0.92772803  0.31785867  0.77165650  1.0
  I  I18  1  0.61628011  0.53787704  0.84312443  1.0
  I  I19  1  0.31785867  0.77165650  0.92772803  1.0