# generated using pymatgen
data_CaVO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63170675
_cell_length_b   8.63170675
_cell_length_c   11.70979763
_cell_angle_alpha   48.54867765
_cell_angle_beta   48.54867765
_cell_angle_gamma   20.94909221
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVO2
_chemical_formula_sum   'Ca4 V4 O8'
_cell_volume   230.66370777
_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  0.69398200  0.69398200  0.20569900  1.0
  Ca  Ca1  1  0.30601800  0.30601800  0.79430100  1.0
  Ca  Ca2  1  0.93148500  0.93148500  0.41867400  1.0
  Ca  Ca3  1  0.06851500  0.06851500  0.58132600  1.0
  V  V4  1  0.43076100  0.43076100  0.91496100  1.0
  V  V5  1  0.82587400  0.82587400  0.28070300  1.0
  V  V6  1  0.17412600  0.17412600  0.71929700  1.0
  V  V7  1  0.56923900  0.56923900  0.08503900  1.0
  O  O8  1  0.11693400  0.11693400  0.94110500  1.0
  O  O9  1  0.58490100  0.58490100  0.71354800  1.0
  O  O10  1  0.41509900  0.41509900  0.28645200  1.0
  O  O11  1  0.88306600  0.88306600  0.05889500  1.0
  O  O12  1  0.88987700  0.88987700  0.83336500  1.0
  O  O13  1  0.21867800  0.21867800  0.33023500  1.0
  O  O14  1  0.11012300  0.11012300  0.16663500  1.0
  O  O15  1  0.78132200  0.78132200  0.66976500  1.0