# generated using pymatgen
data_CaNd6CoBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37533445
_cell_length_b   9.37533523
_cell_length_c   9.37533418
_cell_angle_alpha   106.67817765
_cell_angle_beta   106.67816937
_cell_angle_gamma   106.67816910
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNd6CoBr12
_chemical_formula_sum   'Ca1 Nd6 Co1 Br12'
_cell_volume   692.22404531
_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  0.97469410  0.89286791  0.68770721  1.0
  Nd  Nd2  1  0.02530590  0.10713209  0.31229279  1.0
  Nd  Nd3  1  0.10713209  0.31229279  0.02530590  1.0
  Nd  Nd4  1  0.31229279  0.02530590  0.10713209  1.0
  Nd  Nd5  1  0.89286791  0.68770721  0.97469410  1.0
  Nd  Nd6  1  0.68770721  0.97469410  0.89286791  1.0
  Co  Co7  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br8  1  0.53712395  0.62016634  0.83654821  1.0
  Br  Br9  1  0.46287605  0.37983366  0.16345179  1.0
  Br  Br10  1  0.31968045  0.92845175  0.77849679  1.0
  Br  Br11  1  0.37983366  0.16345179  0.46287605  1.0
  Br  Br12  1  0.92845175  0.77849679  0.31968045  1.0
  Br  Br13  1  0.68031955  0.07154825  0.22150321  1.0
  Br  Br14  1  0.07154825  0.22150321  0.68031955  1.0
  Br  Br15  1  0.77849679  0.31968045  0.92845175  1.0
  Br  Br16  1  0.22150321  0.68031955  0.07154825  1.0
  Br  Br17  1  0.83654821  0.53712395  0.62016634  1.0
  Br  Br18  1  0.16345179  0.46287605  0.37983366  1.0
  Br  Br19  1  0.62016634  0.83654821  0.53712395  1.0