# generated using pymatgen
data_CaV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04128622
_cell_length_b   5.97589314
_cell_length_c   11.13460350
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaV2O4
_chemical_formula_sum   'Ca4 V8 O16'
_cell_volume   335.44315544
_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  0.34065550  0.00000000  0.50000000  1.0
  Ca  Ca1  1  0.65934450  0.50000000  0.00000000  1.0
  Ca  Ca2  1  0.03265454  0.00000000  0.00000000  1.0
  Ca  Ca3  1  0.96734546  0.50000000  0.50000000  1.0
  V  V4  1  0.01466939  0.50000000  0.23915143  1.0
  V  V5  1  0.01466939  0.50000000  0.76084857  1.0
  V  V6  1  0.98533061  0.00000000  0.26084857  1.0
  V  V7  1  0.98533061  0.00000000  0.73915143  1.0
  V  V8  1  0.50000000  0.25000000  0.25000000  1.0
  V  V9  1  0.50000000  0.75000000  0.75000000  1.0
  V  V10  1  0.50000000  0.75000000  0.25000000  1.0
  V  V11  1  0.50000000  0.25000000  0.75000000  1.0
  O  O12  1  0.34686726  0.50000000  0.14912577  1.0
  O  O13  1  0.34686726  0.50000000  0.85087423  1.0
  O  O14  1  0.65313274  0.00000000  0.35087423  1.0
  O  O15  1  0.65313274  0.00000000  0.64912577  1.0
  O  O16  1  0.68069926  0.50000000  0.33838680  1.0
  O  O17  1  0.68069926  0.50000000  0.66161320  1.0
  O  O18  1  0.31930074  0.00000000  0.16161320  1.0
  O  O19  1  0.31930074  0.00000000  0.83838680  1.0
  O  O20  1  0.16383224  0.25390602  0.35249933  1.0
  O  O21  1  0.16383224  0.74609398  0.64750067  1.0
  O  O22  1  0.83616776  0.75390602  0.14750067  1.0
  O  O23  1  0.83616776  0.24609398  0.85249933  1.0
  O  O24  1  0.83616776  0.24609398  0.14750067  1.0
  O  O25  1  0.83616776  0.75390602  0.85249933  1.0
  O  O26  1  0.16383224  0.74609398  0.35249933  1.0
  O  O27  1  0.16383224  0.25390602  0.64750067  1.0