# generated using pymatgen
data_CaNd(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27348747
_cell_length_b   6.27348664
_cell_length_c   6.27348659
_cell_angle_alpha   125.44105371
_cell_angle_beta   125.44104448
_cell_angle_gamma   80.80877483
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNd(CuO2)4
_chemical_formula_sum   'Ca1 Nd1 Cu4 O8'
_cell_volume   157.98260743
_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  0.00000000  0.00000000  0.00000000  1.0
  Nd  Nd1  1  0.75000000  0.25000000  0.50000000  1.0
  Cu  Cu2  1  0.87643865  0.62632198  0.25351678  1.0
  Cu  Cu3  1  0.37280520  0.62292187  0.74648322  1.0
  Cu  Cu4  1  0.37707813  0.12356135  0.74988333  1.0
  Cu  Cu5  1  0.37367802  0.62719480  0.25011667  1.0
  O  O6  1  0.02391979  0.94250351  0.36776422  1.0
  O  O7  1  0.05749649  0.42526071  0.08141627  1.0
  O  O8  1  0.34384544  0.97608021  0.91858373  1.0
  O  O9  1  0.17297297  0.59445319  0.86565655  1.0
  O  O10  1  0.40554681  0.27120336  0.57852078  1.0
  O  O11  1  0.69268358  0.82702703  0.42147922  1.0
  O  O12  1  0.57473929  0.65615456  0.63223578  1.0
  O  O13  1  0.72879664  0.30731642  0.13434345  1.0