# generated using pymatgen
data_CaAc3(SiNi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30870336
_cell_length_b   6.30870340
_cell_length_c   6.30870304
_cell_angle_alpha   91.02927554
_cell_angle_beta   88.97072399
_cell_angle_gamma   91.02926552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAc3(SiNi)4
_chemical_formula_sum   'Ca1 Ac3 Si4 Ni4'
_cell_volume   250.96462771
_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  0.86627767  0.63372233  0.36627767  1.0
  Ac  Ac1  1  0.64041510  0.36501988  0.86452095  1.0
  Ac  Ac2  1  0.36452095  0.85958490  0.63498012  1.0
  Ac  Ac3  1  0.13498012  0.13547905  0.14041510  1.0
  Si  Si4  1  0.15374947  0.34625053  0.65374947  1.0
  Si  Si5  1  0.65880990  0.16255537  0.34392380  1.0
  Si  Si6  1  0.33744463  0.65607620  0.15880990  1.0
  Si  Si7  1  0.84392380  0.84119010  0.83744463  1.0
  Ni  Ni8  1  0.59317219  0.90682781  0.09317219  1.0
  Ni  Ni9  1  0.08395825  0.59087258  0.91362050  1.0
  Ni  Ni10  1  0.41362050  0.41604175  0.40912742  1.0
  Ni  Ni11  1  0.90912742  0.08637950  0.58395825  1.0