# generated using pymatgen
data_Zr3Sc(VRe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23468479
_cell_length_b   5.26522987
_cell_length_c   8.62989438
_cell_angle_alpha   89.99999747
_cell_angle_beta   89.85302096
_cell_angle_gamma   120.19321351
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Sc(VRe3)2
_chemical_formula_sum   'Zr3 Sc1 V2 Re6'
_cell_volume   205.58585316
_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  0.33461133  0.66730616  0.43876619  1.0
  Zr  Zr1  1  0.66670009  0.33335004  0.94083461  1.0
  Zr  Zr2  1  0.66558990  0.33279445  0.56055674  1.0
  Sc  Sc3  1  0.33368633  0.66684316  0.06066745  1.0
  V  V4  1  0.66257539  0.83128819  0.74934741  1.0
  V  V5  1  0.33691607  0.16845754  0.25023620  1.0
  Re  Re6  1  0.82913959  0.17178277  0.24963037  1.0
  Re  Re7  1  0.17084488  0.34312086  0.75031692  1.0
  Re  Re8  1  0.17084488  0.82772502  0.75031692  1.0
  Re  Re9  1  0.82913959  0.65735581  0.24963037  1.0
  Re  Re10  1  0.00082449  0.00041274  0.49990310  1.0
  Re  Re11  1  0.99912748  0.99956424  0.99979473  1.0