# generated using pymatgen
data_CaPa2(GaNi)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88631897
_cell_length_b   6.83367273
_cell_length_c   3.86115836
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.74741826
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPa2(GaNi)3
_chemical_formula_sum   'Ca1 Pa2 Ga3 Ni3'
_cell_volume   157.75723921
_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  1.00000000  0.58480121  0.50000000  1.0
  Pa  Pa1  1  0.42140679  0.42045767  0.50000000  1.0
  Pa  Pa2  1  0.57859321  0.99905087  0.50000000  1.0
  Ga  Ga3  1  0.23067117  0.99270756  0.00000000  1.0
  Ga  Ga4  1  0.76932883  0.76203739  0.00000000  1.0
  Ga  Ga5  1  0.00000000  0.24458430  0.00000000  1.0
  Ni  Ni6  1  0.63884319  0.30934037  0.00000000  1.0
  Ni  Ni7  1  0.36115681  0.67049818  0.00000000  1.0
  Ni  Ni8  1  1.00000000  0.01652345  0.50000000  1.0