# generated using pymatgen
data_NaCaN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82722500
_cell_length_b   3.82726762
_cell_length_c   10.02521000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99964028
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaN
_chemical_formula_sum   'Na2 Ca2 N2'
_cell_volume   127.17405246
_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
  Na  Na0  1  0.66666800  0.33333500  0.72602100  1.0
  Na  Na1  1  0.33333200  0.66666500  0.22602100  1.0
  Ca  Ca2  1  0.00000000  0.00000000  0.52001800  1.0
  Ca  Ca3  1  0.00000000  0.00000000  0.02001800  1.0
  N  N4  1  0.33333200  0.66666400  0.59860100  1.0
  N  N5  1  0.66666800  0.33333600  0.09860100  1.0