# generated using pymatgen
data_CaNdReC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25959208
_cell_length_b   6.58619236
_cell_length_c   10.49490279
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNdReC2
_chemical_formula_sum   'Ca4 Nd4 Re4 C8'
_cell_volume   363.55062324
_cell_formula_units_Z   4
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  0.25000000  0.46360454  0.77398905  1.0
  Ca  Ca1  1  0.75000000  0.03639546  0.27398905  1.0
  Ca  Ca2  1  0.25000000  0.96360454  0.72601095  1.0
  Ca  Ca3  1  0.75000000  0.53639546  0.22601095  1.0
  Nd  Nd4  1  0.25000000  0.80045001  0.05044135  1.0
  Nd  Nd5  1  0.75000000  0.69954999  0.55044135  1.0
  Nd  Nd6  1  0.25000000  0.30045001  0.44955865  1.0
  Nd  Nd7  1  0.75000000  0.19954999  0.94955865  1.0
  Re  Re8  1  0.25000000  0.27012250  0.14630872  1.0
  Re  Re9  1  0.75000000  0.22987750  0.64630872  1.0
  Re  Re10  1  0.25000000  0.77012250  0.35369128  1.0
  Re  Re11  1  0.75000000  0.72987750  0.85369128  1.0
  C  C12  1  0.25000000  0.69713106  0.52694824  1.0
  C  C13  1  0.75000000  0.80286894  0.02694824  1.0
  C  C14  1  0.25000000  0.19713106  0.97305176  1.0
  C  C15  1  0.75000000  0.30286894  0.47305176  1.0
  C  C16  1  0.25000000  0.03386037  0.25741554  1.0
  C  C17  1  0.75000000  0.46613963  0.75741554  1.0
  C  C18  1  0.25000000  0.53386037  0.24258446  1.0
  C  C19  1  0.75000000  0.96613963  0.74258446  1.0