# generated using pymatgen
data_Ca4Ga5Ni9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21237612
_cell_length_b   5.21237605
_cell_length_c   11.97400155
_cell_angle_alpha   77.42872439
_cell_angle_beta   77.42872332
_cell_angle_gamma   59.99999965
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Ga5Ni9
_chemical_formula_sum   'Ca4 Ga5 Ni9'
_cell_volume   272.69246388
_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  0.95057572  0.95057572  0.14827084  1.0
  Ca  Ca1  1  0.04942428  0.04942428  0.85172916  1.0
  Ca  Ca2  1  0.85386407  0.85386407  0.43840779  1.0
  Ca  Ca3  1  0.14613593  0.14613593  0.56159221  1.0
  Ga  Ga4  1  0.50000000  0.50000000  0.50000000  1.0
  Ga  Ga5  1  0.72187502  0.72187502  0.83437395  1.0
  Ga  Ga6  1  0.27812498  0.27812498  0.16562605  1.0
  Ga  Ga7  1  0.61169437  0.61169437  0.16491689  1.0
  Ga  Ga8  1  0.38830563  0.38830563  0.83508311  1.0
  Ni  Ni9  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni10  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni11  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni12  1  0.38982176  0.38982176  0.32850723  1.0
  Ni  Ni13  1  0.89185025  0.38982176  0.32850723  1.0
  Ni  Ni14  1  0.38982176  0.89185025  0.32850723  1.0
  Ni  Ni15  1  0.61017824  0.61017824  0.67149277  1.0
  Ni  Ni16  1  0.10814975  0.61017824  0.67149277  1.0
  Ni  Ni17  1  0.61017824  0.10814975  0.67149277  1.0