# generated using pymatgen
data_Sc2Mn(ReB2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02491120
_cell_length_b   6.02491120
_cell_length_c   11.14666536
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Mn(ReB2)2
_chemical_formula_sum   'Sc8 Mn4 Re8 B16'
_cell_volume   404.61899225
_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  0.99131379  0.65011408  0.04089022  1.0
  Sc  Sc1  1  0.00868621  0.34988592  0.54089022  1.0
  Sc  Sc2  1  0.34988592  0.00868621  0.45910978  1.0
  Sc  Sc3  1  0.15011408  0.50868621  0.79089022  1.0
  Sc  Sc4  1  0.84988592  0.49131379  0.29089022  1.0
  Sc  Sc5  1  0.50868621  0.15011408  0.20910978  1.0
  Sc  Sc6  1  0.49131379  0.84988592  0.70910978  1.0
  Sc  Sc7  1  0.65011408  0.99131379  0.95910978  1.0
  Mn  Mn8  1  0.68049277  0.68049277  0.50000000  1.0
  Mn  Mn9  1  0.18049277  0.81950723  0.25000000  1.0
  Mn  Mn10  1  0.31950723  0.31950723  0.00000000  1.0
  Mn  Mn11  1  0.81950723  0.18049277  0.75000000  1.0
  Re  Re12  1  0.99998620  0.85779140  0.62576627  1.0
  Re  Re13  1  0.00001380  0.14220860  0.12576627  1.0
  Re  Re14  1  0.85779140  0.99998620  0.37423373  1.0
  Re  Re15  1  0.35779140  0.50001380  0.37576627  1.0
  Re  Re16  1  0.64220860  0.49998620  0.87576627  1.0
  Re  Re17  1  0.50001380  0.35779140  0.62423373  1.0
  Re  Re18  1  0.49998620  0.64220860  0.12423373  1.0
  Re  Re19  1  0.14220860  0.00001380  0.87423373  1.0
  B  B20  1  0.06492278  0.71074419  0.44523030  1.0
  B  B21  1  0.64561108  0.29208086  0.44272810  1.0
  B  B22  1  0.35438892  0.70791914  0.94272810  1.0
  B  B23  1  0.20791914  0.14561108  0.69272810  1.0
  B  B24  1  0.29208086  0.64561108  0.55727190  1.0
  B  B25  1  0.70791914  0.35438892  0.05727190  1.0
  B  B26  1  0.79208086  0.85438892  0.19272810  1.0
  B  B27  1  0.14561108  0.20791914  0.30727190  1.0
  B  B28  1  0.93507722  0.28925581  0.94523030  1.0
  B  B29  1  0.71074419  0.06492278  0.55476970  1.0
  B  B30  1  0.21074419  0.43507722  0.19523030  1.0
  B  B31  1  0.78925581  0.56492278  0.69523030  1.0
  B  B32  1  0.43507722  0.21074419  0.80476970  1.0
  B  B33  1  0.56492278  0.78925581  0.30476970  1.0
  B  B34  1  0.28925581  0.93507722  0.05476970  1.0
  B  B35  1  0.85438892  0.79208086  0.80727190  1.0