# generated using pymatgen
data_Ca2Nb3Ni9As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83851137
_cell_length_b   9.60049973
_cell_length_c   9.60050034
_cell_angle_alpha   119.99999781
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Nb3Ni9As7
_chemical_formula_sum   'Ca2 Nb3 Ni9 As7'
_cell_volume   306.39465100
_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  0.00000000  0.66666700  0.33333300  1.0
  Ca  Ca1  1  0.50000000  0.33333300  0.66666700  1.0
  Nb  Nb2  1  0.50000000  0.77740135  0.89411074  1.0
  Nb  Nb3  1  0.50000000  0.11670939  0.22259865  1.0
  Nb  Nb4  1  0.50000000  0.10588926  0.88329061  1.0
  Ni  Ni5  1  0.00000000  0.57613848  0.93559744  1.0
  Ni  Ni6  1  0.00000000  0.35945796  0.42386152  1.0
  Ni  Ni7  1  0.00000000  0.06440256  0.64054204  1.0
  Ni  Ni8  1  0.00000000  0.87203187  0.15515105  1.0
  Ni  Ni9  1  0.00000000  0.28312019  0.12796813  1.0
  Ni  Ni10  1  0.00000000  0.84484895  0.71687981  1.0
  Ni  Ni11  1  0.50000000  0.94209636  0.37682897  1.0
  Ni  Ni12  1  0.50000000  0.43473261  0.05790364  1.0
  Ni  Ni13  1  0.50000000  0.62317103  0.56526739  1.0
  As  As14  1  0.50000000  0.70351440  0.11672729  1.0
  As  As15  1  0.50000000  0.41321489  0.29648560  1.0
  As  As16  1  0.50000000  0.88327271  0.58678511  1.0
  As  As17  1  0.00000000  0.00000000  0.00000000  1.0
  As  As18  1  0.00000000  0.58188543  0.68934402  1.0
  As  As19  1  0.00000000  0.10745860  0.41811457  1.0
  As  As20  1  0.00000000  0.31065598  0.89254140  1.0