# generated using pymatgen
data_Ca2VN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91055760
_cell_length_b   5.91055760
_cell_length_c   11.61398997
_cell_angle_alpha   88.95234104
_cell_angle_beta   88.95234104
_cell_angle_gamma   123.53135145
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2VN3
_chemical_formula_sum   'Ca8 V4 N12'
_cell_volume   337.95817241
_cell_formula_units_Z   4
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  0.61591938  0.84100675  0.07692160  1.0
  Ca  Ca1  1  0.46306720  0.05714678  0.35231980  1.0
  Ca  Ca2  1  0.05714678  0.46306720  0.85231980  1.0
  Ca  Ca3  1  0.53693280  0.94285322  0.64768020  1.0
  Ca  Ca4  1  0.38408062  0.15899325  0.92307840  1.0
  Ca  Ca5  1  0.84100675  0.61591938  0.57692160  1.0
  Ca  Ca6  1  0.15899325  0.38408062  0.42307840  1.0
  Ca  Ca7  1  0.94285322  0.53693280  0.14768020  1.0
  V  V8  1  0.76679351  0.76631068  0.83763611  1.0
  V  V9  1  0.23368932  0.23320649  0.66236389  1.0
  V  V10  1  0.23320649  0.23368932  0.16236389  1.0
  V  V11  1  0.76631068  0.76679351  0.33763611  1.0
  N  N12  1  0.08893539  0.91106461  0.75000000  1.0
  N  N13  1  0.91106461  0.08893539  0.25000000  1.0
  N  N14  1  0.50555685  0.49444315  0.75000000  1.0
  N  N15  1  0.49444315  0.50555685  0.25000000  1.0
  N  N16  1  0.33965138  0.01359032  0.12909319  1.0
  N  N17  1  0.98640968  0.66034862  0.37090681  1.0
  N  N18  1  0.66034862  0.98640968  0.87090681  1.0
  N  N19  1  0.01359032  0.33965138  0.62909319  1.0
  N  N20  1  0.80864202  0.62338586  0.96208009  1.0
  N  N21  1  0.62338586  0.80864202  0.46208009  1.0
  N  N22  1  0.19135798  0.37661414  0.03791991  1.0
  N  N23  1  0.37661414  0.19135798  0.53791991  1.0