# generated using pymatgen
data_Zr2SiNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01819404
_cell_length_b   5.01819404
_cell_length_c   7.82895699
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SiNi3
_chemical_formula_sum   'Zr4 Si2 Ni6'
_cell_volume   170.73770500
_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
  Zr  Zr0  1  0.33333300  0.66666700  0.44557600  1
  Zr  Zr1  1  0.66666700  0.33333300  0.55442400  1
  Zr  Zr2  1  0.66666700  0.33333300  0.94557600  1
  Zr  Zr3  1  0.33333300  0.66666700  0.05442400  1
  Si  Si4  1  0.00000000  0.00000000  0.50000000  1
  Si  Si5  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni6  1  0.83272800  0.16727200  0.25000000  1
  Ni  Ni7  1  0.83272800  0.66545600  0.25000000  1
  Ni  Ni8  1  0.33454400  0.16727200  0.25000000  1
  Ni  Ni9  1  0.16727200  0.83272800  0.75000000  1
  Ni  Ni10  1  0.16727200  0.33454400  0.75000000  1
  Ni  Ni11  1  0.66545600  0.83272800  0.75000000  1
