# generated using pymatgen
data_Zr3Sc(TiRe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28837660
_cell_length_b   5.28837661
_cell_length_c   8.74502250
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000606
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Sc(TiRe3)2
_chemical_formula_sum   'Zr3 Sc1 Ti2 Re6'
_cell_volume   211.80503848
_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
  Zr  Zr0  1  0.66666700  0.33333300  0.93605837  1.0
  Zr  Zr1  1  0.66666700  0.33333300  0.56297639  1.0
  Zr  Zr2  1  0.33333300  0.66666700  0.06554046  1.0
  Sc  Sc3  1  0.33333300  0.66666700  0.43644077  1.0
  Ti  Ti4  1  0.00000000  0.00000000  0.49937396  1.0
  Ti  Ti5  1  0.00000000  0.00000000  0.00001711  1.0
  Re  Re6  1  0.66086461  0.83043231  0.75029535  1.0
  Re  Re7  1  0.33894161  0.16947081  0.24956963  1.0
  Re  Re8  1  0.83052919  0.16947081  0.24956963  1.0
  Re  Re9  1  0.16956769  0.33913539  0.75029535  1.0
  Re  Re10  1  0.16956769  0.83043231  0.75029535  1.0
  Re  Re11  1  0.83052919  0.66105839  0.24956963  1.0