# generated using pymatgen
data_Zr2Si4Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19423745
_cell_length_b   13.77123192
_cell_length_c   6.90389948
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Si4Ni3
_chemical_formula_sum   'Zr8 Si16 Ni12'
_cell_volume   493.84316904
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.50000000  0.39556300  0.59839700  1
  Zr  Zr1  1  0.00000000  0.10443700  0.40160300  1
  Zr  Zr2  1  0.50000000  0.10443700  0.09839700  1
  Zr  Zr3  1  0.00000000  0.39556300  0.90160300  1
  Zr  Zr4  1  0.00000000  0.89556300  0.59839700  1
  Zr  Zr5  1  0.50000000  0.60443700  0.40160300  1
  Zr  Zr6  1  0.00000000  0.60443700  0.09839700  1
  Zr  Zr7  1  0.50000000  0.89556300  0.90160300  1
  Si  Si8  1  0.25000000  0.43847700  0.25000000  1
  Si  Si9  1  0.75000000  0.06152300  0.75000000  1
  Si  Si10  1  0.25000000  0.06152300  0.75000000  1
  Si  Si11  1  0.75000000  0.43847700  0.25000000  1
  Si  Si12  1  0.50000000  0.31753500  0.97687200  1
  Si  Si13  1  0.00000000  0.18246500  0.02312800  1
  Si  Si14  1  0.50000000  0.18246500  0.47687200  1
  Si  Si15  1  0.00000000  0.31753500  0.52312800  1
  Si  Si16  1  0.75000000  0.93847700  0.25000000  1
  Si  Si17  1  0.25000000  0.56152300  0.75000000  1
  Si  Si18  1  0.75000000  0.56152300  0.75000000  1
  Si  Si19  1  0.25000000  0.93847700  0.25000000  1
  Si  Si20  1  0.00000000  0.81753500  0.97687200  1
  Si  Si21  1  0.50000000  0.68246500  0.02312800  1
  Si  Si22  1  0.00000000  0.68246500  0.47687200  1
  Si  Si23  1  0.50000000  0.81753500  0.52312800  1
  Ni  Ni24  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni25  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni26  1  0.25000000  0.27289900  0.25000000  1
  Ni  Ni27  1  0.75000000  0.22710100  0.75000000  1
  Ni  Ni28  1  0.25000000  0.22710100  0.75000000  1
  Ni  Ni29  1  0.75000000  0.27289900  0.25000000  1
  Ni  Ni30  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni31  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni32  1  0.75000000  0.77289900  0.25000000  1
  Ni  Ni33  1  0.25000000  0.72710100  0.75000000  1
  Ni  Ni34  1  0.75000000  0.72710100  0.75000000  1
  Ni  Ni35  1  0.25000000  0.77289900  0.25000000  1
