# generated using pymatgen
data_Ca2PdN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56118600
_cell_length_b   3.56125600
_cell_length_c   6.85172728
_cell_angle_alpha   105.06354903
_cell_angle_beta   105.06264844
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2PdN2
_chemical_formula_sum   'Ca2 Pd1 N2'
_cell_volume   80.81396173
_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  0.15538500  0.15544200  0.81077000  1.0
  Ca  Ca1  1  0.84461500  0.84455800  0.18923000  1.0
  Pd  Pd2  1  0.50000000  0.50000000  0.50000000  1.0
  N  N3  1  0.65305400  0.65300800  0.80610700  1.0
  N  N4  1  0.34694600  0.34699200  0.19389300  1.0