# generated using pymatgen
data_CaNi2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44558500
_cell_length_b   6.60223161
_cell_length_c   6.78733247
_cell_angle_alpha   114.17319242
_cell_angle_beta   87.59499806
_cell_angle_gamma   96.91312794
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi2(P2O7)2
_chemical_formula_sum   'Ca1 Ni2 P4 O14'
_cell_volume   261.58471422
_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  0.86897000  0.72758300  0.17767900  1.0
  Ni  Ni1  1  0.35344300  0.10316100  0.21296100  1.0
  Ni  Ni2  1  0.64958900  0.90384900  0.78643700  1.0
  P  P3  1  0.86357300  0.22730700  0.24307100  1.0
  P  P4  1  0.13963700  0.77936800  0.75631900  1.0
  P  P5  1  0.37673600  0.64342600  0.34073400  1.0
  P  P6  1  0.61967900  0.35759400  0.65760300  1.0
  O  O7  1  0.22049200  0.62102300  0.52393400  1.0
  O  O8  1  0.79069800  0.37620700  0.48492600  1.0
  O  O9  1  0.03557600  0.09487500  0.26194600  1.0
  O  O10  1  0.96213000  0.89239300  0.72075800  1.0
  O  O11  1  0.41184000  0.25098500  0.53596000  1.0
  O  O12  1  0.59045300  0.75861100  0.44999000  1.0
  O  O13  1  0.61671500  0.59749200  0.82469600  1.0
  O  O14  1  0.39652100  0.40478800  0.18280800  1.0
  O  O15  1  0.06303700  0.62489500  0.86716200  1.0
  O  O16  1  0.92768900  0.38839500  0.14227500  1.0
  O  O17  1  0.33247700  0.93949400  0.87638800  1.0
  O  O18  1  0.67303200  0.05073700  0.13101800  1.0
  O  O19  1  0.68208000  0.20152400  0.75313900  1.0
  O  O20  1  0.28282400  0.78519000  0.24437400  1.0