# generated using pymatgen
data_Ca3V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99845183
_cell_length_b   9.99845183
_cell_length_c   5.34689849
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   148.88067758
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3V2O7
_chemical_formula_sum   'Ca6 V4 O14'
_cell_volume   276.25395513
_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  0.24047008  0.24047008  0.27608405  1.0
  Ca  Ca1  1  0.75952992  0.75952992  0.77608405  1.0
  Ca  Ca2  1  0.05023552  0.42214425  0.22694528  1.0
  Ca  Ca3  1  0.94976448  0.57785575  0.72694528  1.0
  Ca  Ca4  1  0.42214425  0.05023552  0.22694528  1.0
  Ca  Ca5  1  0.57785575  0.94976448  0.72694528  1.0
  V  V6  1  0.84282140  0.64674373  0.24682505  1.0
  V  V7  1  0.15717860  0.35325627  0.74682505  1.0
  V  V8  1  0.35325627  0.15717860  0.74682505  1.0
  V  V9  1  0.64674373  0.84282140  0.24682505  1.0
  O  O10  1  0.60088878  0.99477441  0.25805669  1.0
  O  O11  1  0.39911122  0.00522559  0.75805669  1.0
  O  O12  1  0.00522559  0.39911122  0.75805669  1.0
  O  O13  1  0.99477441  0.60088878  0.25805669  1.0
  O  O14  1  0.42197174  0.63742541  0.96939180  1.0
  O  O15  1  0.57802826  0.36257459  0.46939180  1.0
  O  O16  1  0.36257459  0.57802826  0.46939180  1.0
  O  O17  1  0.63742541  0.42197174  0.96939180  1.0
  O  O18  1  0.94305627  0.11591600  0.02982069  1.0
  O  O19  1  0.05694373  0.88408400  0.52982069  1.0
  O  O20  1  0.69504314  0.69504314  0.24183494  1.0
  O  O21  1  0.30495686  0.30495686  0.74183494  1.0
  O  O22  1  0.11591600  0.94305627  0.02982069  1.0
  O  O23  1  0.88408400  0.05694373  0.52982069  1.0