# generated using pymatgen
data_CaV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18938607
_cell_length_b   5.18938607
_cell_length_c   10.11168800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.29505296
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaV2O4
_chemical_formula_sum   'Ca2 V4 O8'
_cell_volume   155.03699254
_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  0.61436600  0.38563400  0.75000000  1.0
  Ca  Ca1  1  0.38563400  0.61436600  0.25000000  1.0
  V  V2  1  0.13218200  0.86781800  0.06992800  1.0
  V  V3  1  0.86781800  0.13218200  0.93007200  1.0
  V  V4  1  0.13218200  0.86781800  0.43007200  1.0
  V  V5  1  0.86781800  0.13218200  0.56992800  1.0
  O  O6  1  0.76841500  0.23158500  0.39315900  1.0
  O  O7  1  0.23158500  0.76841500  0.60684100  1.0
  O  O8  1  0.23158500  0.76841500  0.89315900  1.0
  O  O9  1  0.76841500  0.23158500  0.10684100  1.0
  O  O10  1  0.06676100  0.93323900  0.25000000  1.0
  O  O11  1  0.93323900  0.06676100  0.75000000  1.0
  O  O12  1  0.50000000  0.50000000  0.00000000  1.0
  O  O13  1  0.50000000  0.50000000  0.50000000  1.0