# generated using pymatgen
data_Ca2Co2PdN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22345454
_cell_length_b   6.22345582
_cell_length_c   6.27515677
_cell_angle_alpha   89.99984714
_cell_angle_beta   89.99984566
_cell_angle_gamma   116.85269228
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Co2PdN3
_chemical_formula_sum   'Ca4 Co4 Pd2 N6'
_cell_volume   216.83815962
_cell_formula_units_Z   2
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  0.82250389  0.67590233  0.89784790  1.0
  Ca  Ca1  1  0.32409767  0.17749611  0.60215210  1.0
  Ca  Ca2  1  0.17749611  0.32409767  0.10215210  1.0
  Ca  Ca3  1  0.67590233  0.82250389  0.39784790  1.0
  Co  Co4  1  0.56908588  0.16857631  0.10346883  1.0
  Co  Co5  1  0.43091412  0.83142369  0.89653117  1.0
  Co  Co6  1  0.83142369  0.43091412  0.39653117  1.0
  Co  Co7  1  0.16857631  0.56908588  0.60346883  1.0
  Pd  Pd8  1  0.81778417  0.18221583  0.75000000  1.0
  Pd  Pd9  1  0.18221583  0.81778417  0.25000000  1.0
  N  N10  1  0.42176061  0.57823939  0.75000000  1.0
  N  N11  1  0.57823939  0.42176061  0.25000000  1.0
  N  N12  1  0.99230474  0.72626608  0.53061402  1.0
  N  N13  1  0.72626608  0.99230474  0.03061402  1.0
  N  N14  1  0.00769526  0.27373392  0.46938598  1.0
  N  N15  1  0.27373392  0.00769526  0.96938598  1.0