# generated using pymatgen
data_CaV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17435597
_cell_length_b   6.17433516
_cell_length_c   6.37097202
_cell_angle_alpha   118.98966444
_cell_angle_beta   118.98308278
_cell_angle_gamma   89.99834121
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaV2O4
_chemical_formula_sum   'Ca2 V4 O8'
_cell_volume   176.87367004
_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  0.37502800  0.62489000  0.74997100  1.0
  Ca  Ca1  1  0.62497100  0.37510900  0.25002800  1.0
  V  V2  1  0.00000100  0.00000300  0.50000000  1.0
  V  V3  1  0.99999900  0.49999700  0.99999800  1.0
  V  V4  1  0.50000300  0.00000600  0.50000400  1.0
  V  V5  1  0.00000200  0.00000200  0.00000200  1.0
  O  O6  1  0.77073900  0.80337200  0.54158700  1.0
  O  O7  1  0.76194600  0.22918400  0.95831900  1.0
  O  O8  1  0.19651500  0.22912900  0.95831900  1.0
  O  O9  1  0.22926000  0.19662700  0.45841200  1.0
  O  O10  1  0.22915200  0.76197000  0.45831400  1.0
  O  O11  1  0.23805300  0.77081400  0.04168000  1.0
  O  O12  1  0.77084700  0.23802800  0.54168500  1.0
  O  O13  1  0.80348500  0.77086900  0.04168100  1.0