# generated using pymatgen
data_CaV4(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26850000
_cell_length_b   7.26259671
_cell_length_c   5.58301080
_cell_angle_alpha   79.81068663
_cell_angle_beta   100.19465969
_cell_angle_gamma   99.84565808
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaV4(NiO6)2
_chemical_formula_sum   'Ca1 V4 Ni2 O12'
_cell_volume   282.50558553
_cell_formula_units_Z   1
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  0.54791300  0.54803700  0.25090500  1.0
  V  V1  1  0.18435000  0.64902600  0.65913200  1.0
  V  V2  1  0.37331600  0.88519500  0.12433000  1.0
  V  V3  1  0.64897400  0.18358700  0.84119800  1.0
  V  V4  1  0.88489500  0.37339400  0.37540700  1.0
  Ni  Ni5  1  0.07529500  0.07535500  0.74989200  1.0
  Ni  Ni6  1  0.91528800  0.91538500  0.24995600  1.0
  O  O7  1  0.04185800  0.82311400  0.61861400  1.0
  O  O8  1  0.06803900  0.41519100  0.68719500  1.0
  O  O9  1  0.16350700  0.98408600  0.11068800  1.0
  O  O10  1  0.32222200  0.67963600  0.42542400  1.0
  O  O11  1  0.41495500  0.06801400  0.81250300  1.0
  O  O12  1  0.33227800  0.66981400  0.94475200  1.0
  O  O13  1  0.67971700  0.32239200  0.07401800  1.0
  O  O14  1  0.61557600  0.88605100  0.24384300  1.0
  O  O15  1  0.66984000  0.33093200  0.55509700  1.0
  O  O16  1  0.82295100  0.04092600  0.88146500  1.0
  O  O17  1  0.88454200  0.61594000  0.25676400  1.0
  O  O18  1  0.98448500  0.16392400  0.38882000  1.0