# generated using pymatgen
data_CaAcNi7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04433867
_cell_length_b   5.04433864
_cell_length_c   12.37201753
_cell_angle_alpha   78.23717454
_cell_angle_beta   78.23717236
_cell_angle_gamma   59.99999845
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAcNi7
_chemical_formula_sum   'Ca2 Ac2 Ni14'
_cell_volume   264.97246812
_cell_formula_units_Z   2
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  0.84994243  0.84994243  0.45017271  1.0
  Ca  Ca1  1  0.15005757  0.15005757  0.54982729  1.0
  Ac  Ac2  1  0.94679056  0.94679056  0.15962633  1.0
  Ac  Ac3  1  0.05320944  0.05320944  0.84037367  1.0
  Ni  Ni4  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni5  1  0.72231995  0.72231995  0.83304014  1.0
  Ni  Ni6  1  0.27768005  0.27768005  0.16695986  1.0
  Ni  Ni7  1  0.61193302  0.61193302  0.16420094  1.0
  Ni  Ni8  1  0.38806698  0.38806698  0.83579906  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  0.39131885  0.39131885  0.32946844  1.0
  Ni  Ni13  1  0.88789387  0.39131885  0.32946844  1.0
  Ni  Ni14  1  0.39131885  0.88789387  0.32946844  1.0
  Ni  Ni15  1  0.60868115  0.60868115  0.67053156  1.0
  Ni  Ni16  1  0.11210613  0.60868115  0.67053156  1.0
  Ni  Ni17  1  0.60868115  0.11210613  0.67053156  1.0