# generated using pymatgen
data_Ca5Ni9P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84311000
_cell_length_b   9.62451433
_cell_length_c   9.62451433
_cell_angle_alpha   120.00000224
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Ni9P7
_chemical_formula_sum   'Ca5 Ni9 P7'
_cell_volume   308.29826721
_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
  Ca  Ca2  1  0.50000000  0.76866600  0.88949700  1.0
  Ca  Ca3  1  0.50000000  0.12083100  0.23133400  1.0
  Ca  Ca4  1  0.50000000  0.11050300  0.87916900  1.0
  Ni  Ni5  1  0.50000000  0.94198400  0.39530600  1.0
  Ni  Ni6  1  0.50000000  0.45332100  0.05801600  1.0
  Ni  Ni7  1  0.50000000  0.60469400  0.54667900  1.0
  Ni  Ni8  1  0.00000000  0.57306800  0.95075800  1.0
  Ni  Ni9  1  0.00000000  0.37769000  0.42693200  1.0
  Ni  Ni10  1  0.00000000  0.04924200  0.62231000  1.0
  Ni  Ni11  1  0.00000000  0.86604900  0.17034600  1.0
  Ni  Ni12  1  0.00000000  0.30429700  0.13395100  1.0
  Ni  Ni13  1  0.00000000  0.82965400  0.69570300  1.0
  P  P14  1  0.50000000  0.71527300  0.14027300  1.0
  P  P15  1  0.50000000  0.42500000  0.28472700  1.0
  P  P16  1  0.50000000  0.85972700  0.57500000  1.0
  P  P17  1  0.00000000  0.57760900  0.67153600  1.0
  P  P18  1  0.00000000  0.09392700  0.42239100  1.0
  P  P19  1  0.00000000  0.32846400  0.90607300  1.0
  P  P20  1  0.00000000  0.00000000  0.00000000  1.0