# generated using pymatgen
data_CaV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95737901
_cell_length_b   9.28642441
_cell_length_c   10.72970575
_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   294.67502309
_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  0.25000000  0.25658486  0.15412918  1.0
  Ca  Ca1  1  0.75000000  0.74341514  0.84587082  1.0
  Ca  Ca2  1  0.25000000  0.75658486  0.34587082  1.0
  Ca  Ca3  1  0.75000000  0.24341514  0.65412918  1.0
  V  V4  1  0.25000000  0.43609955  0.38555485  1.0
  V  V5  1  0.75000000  0.56390045  0.61444515  1.0
  V  V6  1  0.25000000  0.93609955  0.11444515  1.0
  V  V7  1  0.75000000  0.06390045  0.88555485  1.0
  V  V8  1  0.25000000  0.41754147  0.89463758  1.0
  V  V9  1  0.75000000  0.58245853  0.10536242  1.0
  V  V10  1  0.25000000  0.91754147  0.60536242  1.0
  V  V11  1  0.75000000  0.08245853  0.39463758  1.0
  O  O12  1  0.25000000  0.20607268  0.83521400  1.0
  O  O13  1  0.75000000  0.79392732  0.16478600  1.0
  O  O14  1  0.25000000  0.70607268  0.66478600  1.0
  O  O15  1  0.75000000  0.29392732  0.33521400  1.0
  O  O16  1  0.25000000  0.11724890  0.52253448  1.0
  O  O17  1  0.75000000  0.88275110  0.47746552  1.0
  O  O18  1  0.25000000  0.61724890  0.97746552  1.0
  O  O19  1  0.75000000  0.38275110  0.02253448  1.0
  O  O20  1  0.25000000  0.02310788  0.28190544  1.0
  O  O21  1  0.75000000  0.97689212  0.71809456  1.0
  O  O22  1  0.25000000  0.52310788  0.21809456  1.0
  O  O23  1  0.75000000  0.47689212  0.78190544  1.0
  O  O24  1  0.25000000  0.41803273  0.57215063  1.0
  O  O25  1  0.75000000  0.58196727  0.42784937  1.0
  O  O26  1  0.25000000  0.91803273  0.92784937  1.0
  O  O27  1  0.75000000  0.08196727  0.07215063  1.0