# generated using pymatgen
data_Ca(CuN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59335800
_cell_length_b   3.59335800
_cell_length_c   6.19693900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(CuN)2
_chemical_formula_sum   'Ca1 Cu2 N2'
_cell_volume   80.01625033
_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  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.70981100  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.29018900  1.0
  N  N3  1  0.00000000  0.50000000  0.25869900  1.0
  N  N4  1  0.50000000  0.00000000  0.74130100  1.0