# generated using pymatgen
data_Ca2ZnNi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99111930
_cell_length_b   4.99111858
_cell_length_c   12.25941036
_cell_angle_alpha   78.25461987
_cell_angle_beta   78.25462149
_cell_angle_gamma   60.00000189
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ZnNi6
_chemical_formula_sum   'Ca4 Zn2 Ni12'
_cell_volume   257.07178656
_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  0.94885737  0.94885737  0.15342689  1.0
  Ca  Ca1  1  0.05114263  0.05114263  0.84657311  1.0
  Ca  Ca2  1  0.85175477  0.85175477  0.44473668  1.0
  Ca  Ca3  1  0.14824523  0.14824523  0.55526332  1.0
  Zn  Zn4  1  0.72201709  0.72201709  0.83394874  1.0
  Zn  Zn5  1  0.27798291  0.27798291  0.16605126  1.0
  Ni  Ni6  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni7  1  0.61195305  0.61195305  0.16414184  1.0
  Ni  Ni8  1  0.38804695  0.38804695  0.83585816  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  0.39275718  0.39275718  0.32938253  1.0
  Ni  Ni13  1  0.88510511  0.39275718  0.32938253  1.0
  Ni  Ni14  1  0.39275718  0.88510511  0.32938253  1.0
  Ni  Ni15  1  0.60724282  0.60724282  0.67061747  1.0
  Ni  Ni16  1  0.11489489  0.60724282  0.67061747  1.0
  Ni  Ni17  1  0.60724282  0.11489489  0.67061747  1.0