# generated using pymatgen
data_Ca3VN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06334687
_cell_length_b   6.70461136
_cell_length_c   6.70461177
_cell_angle_alpha   101.18215164
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3VN3
_chemical_formula_sum   'Ca6 V2 N6'
_cell_volume   223.28566600
_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  0.75000000  0.82934108  0.59853376  1.0
  Ca  Ca1  1  0.25000000  0.17065892  0.40146624  1.0
  Ca  Ca2  1  0.25000000  0.10824619  0.89175381  1.0
  Ca  Ca3  1  0.75000000  0.89175381  0.10824619  1.0
  Ca  Ca4  1  0.25000000  0.59853376  0.82934108  1.0
  Ca  Ca5  1  0.75000000  0.40146624  0.17065892  1.0
  V  V6  1  0.25000000  0.69724623  0.30275377  1.0
  V  V7  1  0.75000000  0.30275377  0.69724623  1.0
  N  N8  1  0.75000000  0.56913957  0.81736409  1.0
  N  N9  1  0.25000000  0.43086043  0.18263591  1.0
  N  N10  1  0.75000000  0.12708010  0.87291990  1.0
  N  N11  1  0.25000000  0.87291990  0.12708010  1.0
  N  N12  1  0.75000000  0.18263591  0.43086043  1.0
  N  N13  1  0.25000000  0.81736409  0.56913957  1.0