# generated using pymatgen
data_Sc2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77074274
_cell_length_b   4.77074274
_cell_length_c   23.66069315
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ni7
_chemical_formula_sum   'Sc8 Ni28'
_cell_volume   466.36944717
_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
  Sc  Sc0  1  0.33333300  0.66666700  0.47098800  1
  Sc  Sc1  1  0.66666700  0.33333300  0.52901200  1
  Sc  Sc2  1  0.66666700  0.33333300  0.97098800  1
  Sc  Sc3  1  0.33333300  0.66666700  0.02901200  1
  Sc  Sc4  1  0.33333300  0.66666700  0.32580200  1
  Sc  Sc5  1  0.66666700  0.33333300  0.67419800  1
  Sc  Sc6  1  0.66666700  0.33333300  0.82580200  1
  Sc  Sc7  1  0.33333300  0.66666700  0.17419800  1
  Ni  Ni8  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni9  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni10  1  0.83339400  0.16660600  0.25000000  1
  Ni  Ni11  1  0.83339400  0.66678800  0.25000000  1
  Ni  Ni12  1  0.33321200  0.16660600  0.25000000  1
  Ni  Ni13  1  0.16660600  0.83339400  0.75000000  1
  Ni  Ni14  1  0.16660600  0.33321200  0.75000000  1
  Ni  Ni15  1  0.66678800  0.83339400  0.75000000  1
  Ni  Ni16  1  0.83214300  0.16785700  0.41671800  1
  Ni  Ni17  1  0.83214300  0.66428600  0.41671800  1
  Ni  Ni18  1  0.33571400  0.16785700  0.41671800  1
  Ni  Ni19  1  0.16785700  0.83214300  0.58328200  1
  Ni  Ni20  1  0.16785700  0.33571400  0.58328200  1
  Ni  Ni21  1  0.66428600  0.83214300  0.58328200  1
  Ni  Ni22  1  0.16785700  0.83214300  0.91671800  1
  Ni  Ni23  1  0.16785700  0.33571400  0.91671800  1
  Ni  Ni24  1  0.66428600  0.83214300  0.91671800  1
  Ni  Ni25  1  0.83214300  0.16785700  0.08328200  1
  Ni  Ni26  1  0.83214300  0.66428600  0.08328200  1
  Ni  Ni27  1  0.33571400  0.16785700  0.08328200  1
  Ni  Ni28  1  0.00000000  0.00000000  0.33358200  1
  Ni  Ni29  1  0.00000000  0.00000000  0.66641800  1
  Ni  Ni30  1  0.00000000  0.00000000  0.83358200  1
  Ni  Ni31  1  0.00000000  0.00000000  0.16641800  1
  Ni  Ni32  1  0.33333300  0.66666700  0.66666700  1
  Ni  Ni33  1  0.66666700  0.33333300  0.33338400  1
  Ni  Ni34  1  0.66666700  0.33333300  0.16661600  1
  Ni  Ni35  1  0.33333300  0.66666700  0.83338400  1
