# generated using pymatgen
data_MgSc3(ZnNi3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98274392
_cell_length_b   4.98274464
_cell_length_c   7.76641948
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000165
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc3(ZnNi3)2
_chemical_formula_sum   'Mg1 Sc3 Zn2 Ni6'
_cell_volume   166.98930865
_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
  Mg  Mg0  1  0.33333300  0.66666700  0.55469300  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.06612241  1.0
  Sc  Sc2  1  0.66666700  0.33333300  0.44572115  1.0
  Sc  Sc3  1  0.33333300  0.66666700  0.92538471  1.0
  Zn  Zn4  1  0.00000000  0.00000000  0.00506079  1.0
  Zn  Zn5  1  0.00000000  0.00000000  0.49896366  1.0
  Ni  Ni6  1  0.17220971  0.34441941  0.24845050  1.0
  Ni  Ni7  1  0.83085052  0.16914948  0.75290126  1.0
  Ni  Ni8  1  0.33829897  0.16914948  0.75290126  1.0
  Ni  Ni9  1  0.65558059  0.82779029  0.24845050  1.0
  Ni  Ni10  1  0.17220971  0.82779029  0.24845050  1.0
  Ni  Ni11  1  0.83085052  0.66170103  0.75290126  1.0