# generated using pymatgen
data_Ca4VN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94577000
_cell_length_b   6.05613642
_cell_length_c   8.82230165
_cell_angle_alpha   72.88848736
_cell_angle_beta   80.00183728
_cell_angle_gamma   68.15439763
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4VN4
_chemical_formula_sum   'Ca8 V2 N8'
_cell_volume   281.07465818
_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  0.78727100  0.57460400  0.17466100  1.0
  Ca  Ca1  1  0.21272900  0.42539600  0.82533900  1.0
  Ca  Ca2  1  0.73885200  0.21904100  0.97229200  1.0
  Ca  Ca3  1  0.26114800  0.78095900  0.02770800  1.0
  Ca  Ca4  1  0.73443100  0.47756000  0.57610100  1.0
  Ca  Ca5  1  0.26556900  0.52244000  0.42389900  1.0
  Ca  Ca6  1  0.22751300  0.96236200  0.61558100  1.0
  Ca  Ca7  1  0.77248700  0.03763800  0.38441900  1.0
  V  V8  1  0.71856500  0.84831800  0.75435500  1.0
  V  V9  1  0.28143500  0.15168200  0.24564500  1.0
  N  N10  1  0.95955100  0.71960200  0.61176400  1.0
  N  N11  1  0.04044900  0.28039800  0.38823600  1.0
  N  N12  1  0.88208000  0.81948400  0.92211400  1.0
  N  N13  1  0.11792000  0.18051600  0.07788600  1.0
  N  N14  1  0.52403500  0.64729000  0.80196200  1.0
  N  N15  1  0.47596500  0.35271000  0.19803800  1.0
  N  N16  1  0.46784500  0.83667700  0.35175300  1.0
  N  N17  1  0.53215500  0.16332300  0.64824700  1.0