# generated using pymatgen
data_Zr3(MnNi2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94885094
_cell_length_b   4.98737129
_cell_length_c   12.26135381
_cell_angle_alpha   90.00196267
_cell_angle_beta   90.18976247
_cell_angle_gamma   119.49536263
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3(MnNi2)2
_chemical_formula_sum   'Zr6 Mn4 Ni8'
_cell_volume   263.40740704
_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  0.33599800  0.66380000  0.70894200  1
  Zr  Zr1  1  0.99759600  0.99587700  0.37575200  1
  Zr  Zr2  1  0.66922000  0.33023700  0.04282400  1
  Zr  Zr3  1  0.33078000  0.66976300  0.95717600  1
  Zr  Zr4  1  0.00240400  0.00412300  0.62424800  1
  Zr  Zr5  1  0.66400200  0.33620000  0.29105800  1
  Mn  Mn6  1  0.50000000  0.50000000  0.50000000  1
  Mn  Mn7  1  0.16763200  0.83312900  0.16600500  1
  Mn  Mn8  1  0.83236800  0.16687100  0.83399500  1
  Mn  Mn9  1  -0.00000000  0.50000000  0.50000000  1
  Ni  Ni10  1  0.66778300  0.83342100  0.16624600  1
  Ni  Ni11  1  0.33221700  0.16657900  0.83375400  1
  Ni  Ni12  1  0.33280500  0.66712400  0.33376300  1
  Ni  Ni13  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni14  1  0.66719500  0.33287600  0.66623700  1
  Ni  Ni15  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni16  1  0.16783100  0.33441900  0.16649100  1
  Ni  Ni17  1  0.83216900  0.66558100  0.83350900  1
