# generated using pymatgen
data_CaCuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16681800
_cell_length_b   4.16691442
_cell_length_c   3.68258200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99925043
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCuN
_chemical_formula_sum   'Ca1 Cu1 N1'
_cell_volume   55.37394317
_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  0.00001900  0.00003800  0.50000000  1.0
  Cu  Cu1  1  0.66669300  0.33338500  0.00000000  1.0
  N  N2  1  0.66668800  0.33337700  0.50000000  1.0