# generated using pymatgen
data_CaNiBiP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78713300
_cell_length_b   7.65027700
_cell_length_c   14.74728600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNiBiP2O9
_chemical_formula_sum   'Ca4 Ni4 Bi4 P8 O36'
_cell_volume   765.72993018
_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  0.75000000  0.91583500  0.29646700  1.0
  Ca  Ca1  1  0.75000000  0.58416500  0.79646700  1.0
  Ca  Ca2  1  0.25000000  0.08416500  0.70353300  1.0
  Ca  Ca3  1  0.25000000  0.41583500  0.20353300  1.0
  Ni  Ni4  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni5  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni6  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni7  1  0.00000000  0.00000000  0.50000000  1.0
  Bi  Bi8  1  0.75000000  0.35860800  0.38234500  1.0
  Bi  Bi9  1  0.25000000  0.64139200  0.61765500  1.0
  Bi  Bi10  1  0.25000000  0.85860800  0.11765500  1.0
  Bi  Bi11  1  0.75000000  0.14139200  0.88234500  1.0
  P  P12  1  0.25000000  0.34711000  0.42049100  1.0
  P  P13  1  0.75000000  0.65289000  0.57950900  1.0
  P  P14  1  0.75000000  0.84711000  0.07950900  1.0
  P  P15  1  0.25000000  0.15289000  0.92049100  1.0
  P  P16  1  0.75000000  0.37677200  0.18180600  1.0
  P  P17  1  0.25000000  0.62322800  0.81819400  1.0
  P  P18  1  0.25000000  0.87677200  0.31819400  1.0
  P  P19  1  0.75000000  0.12322800  0.68180600  1.0
  O  O20  1  0.05847900  0.61699600  0.87479700  1.0
  O  O21  1  0.55847900  0.38300400  0.12520300  1.0
  O  O22  1  0.94152100  0.11699600  0.62520300  1.0
  O  O23  1  0.44152100  0.88300400  0.37479700  1.0
  O  O24  1  0.94152100  0.38300400  0.12520300  1.0
  O  O25  1  0.44152100  0.61699600  0.87479700  1.0
  O  O26  1  0.05847900  0.88300400  0.37479700  1.0
  O  O27  1  0.55847900  0.11699600  0.62520300  1.0
  O  O28  1  0.25000000  0.32318400  0.97537700  1.0
  O  O29  1  0.75000000  0.67681600  0.02462300  1.0
  O  O30  1  0.75000000  0.82318400  0.52462300  1.0
  O  O31  1  0.25000000  0.17681600  0.47537700  1.0
  O  O32  1  0.75000000  0.10080700  0.43372900  1.0
  O  O33  1  0.25000000  0.89919300  0.56627100  1.0
  O  O34  1  0.25000000  0.60080700  0.06627100  1.0
  O  O35  1  0.75000000  0.39919300  0.93372900  1.0
  O  O36  1  0.75000000  0.20921400  0.24383400  1.0
  O  O37  1  0.25000000  0.79078600  0.75616600  1.0
  O  O38  1  0.25000000  0.70921400  0.25616600  1.0
  O  O39  1  0.75000000  0.29078600  0.74383400  1.0
  O  O40  1  0.42519900  0.14234700  0.85179900  1.0
  O  O41  1  0.92519900  0.85765300  0.14820100  1.0
  O  O42  1  0.57480100  0.64234700  0.64820100  1.0
  O  O43  1  0.07480100  0.35765300  0.35179900  1.0
  O  O44  1  0.57480100  0.85765300  0.14820100  1.0
  O  O45  1  0.07480100  0.14234700  0.85179900  1.0
  O  O46  1  0.42519900  0.35765300  0.35179900  1.0
  O  O47  1  0.92519900  0.64234700  0.64820100  1.0
  O  O48  1  0.75000000  0.96571200  0.75305700  1.0
  O  O49  1  0.25000000  0.03428800  0.24694300  1.0
  O  O50  1  0.25000000  0.46571200  0.74694300  1.0
  O  O51  1  0.75000000  0.53428800  0.25305700  1.0
  O  O52  1  0.75000000  0.01029500  0.01920100  1.0
  O  O53  1  0.25000000  0.98970500  0.98079900  1.0
  O  O54  1  0.25000000  0.51029500  0.48079900  1.0
  O  O55  1  0.75000000  0.48970500  0.51920100  1.0