# generated using pymatgen
data_CaV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04411563
_cell_length_b   7.04411563
_cell_length_c   9.38565597
_cell_angle_alpha   55.53557026
_cell_angle_beta   55.53557026
_cell_angle_gamma   26.05486081
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaV2O4
_chemical_formula_sum   'Ca2 V4 O8'
_cell_volume   166.51118579
_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  0.65213600  0.65213600  0.82707400  1.0
  Ca  Ca1  1  0.34786400  0.34786400  0.17292600  1.0
  V  V2  1  0.36189300  0.36189300  0.82392200  1.0
  V  V3  1  0.86518900  0.86518900  0.46834100  1.0
  V  V4  1  0.13481100  0.13481100  0.53165900  1.0
  V  V5  1  0.63810700  0.63810700  0.17607800  1.0
  O  O6  1  0.13361800  0.13361800  0.31607700  1.0
  O  O7  1  0.53856400  0.53856400  0.69895600  1.0
  O  O8  1  0.46143600  0.46143600  0.30104400  1.0
  O  O9  1  0.86638200  0.86638200  0.68392300  1.0
  O  O10  1  0.83437100  0.83437100  0.00265000  1.0
  O  O11  1  0.23936000  0.23936000  0.61723500  1.0
  O  O12  1  0.16562900  0.16562900  0.99735000  1.0
  O  O13  1  0.76064000  0.76064000  0.38276500  1.0