# generated using pymatgen
data_MgSc(Nb2B5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19693241
_cell_length_b   7.05123544
_cell_length_c   7.43048253
_cell_angle_alpha   94.02129124
_cell_angle_beta   102.05562460
_cell_angle_gamma   115.97164621
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc(Nb2B5)4
_chemical_formula_sum   'Mg1 Sc1 Nb8 B20'
_cell_volume   280.59249277
_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  0.00073377  0.60163026  0.80091484  1.0
  Sc  Sc1  1  0.99951513  0.99847593  0.99937416  1.0
  Nb  Nb2  1  0.49930803  0.99967518  0.99999457  1.0
  Nb  Nb3  1  0.50019295  0.79969164  0.40017140  1.0
  Nb  Nb4  1  0.99982048  0.39574984  0.20185823  1.0
  Nb  Nb5  1  0.50251816  0.20107252  0.59962149  1.0
  Nb  Nb6  1  0.00045460  0.80232965  0.39982406  1.0
  Nb  Nb7  1  0.49962628  0.59966387  0.79941282  1.0
  Nb  Nb8  1  0.49846000  0.39945130  0.20057355  1.0
  Nb  Nb9  1  0.99956576  0.20335861  0.59874808  1.0
  B  B10  1  0.33278838  0.23302935  0.86641566  1.0
  B  B11  1  0.33062740  0.63185931  0.06580295  1.0
  B  B12  1  0.16612301  0.36761817  0.93351504  1.0
  B  B13  1  0.33256767  0.03222588  0.26507196  1.0
  B  B14  1  0.16520799  0.76509941  0.13172714  1.0
  B  B15  1  0.83376595  0.23473997  0.86556301  1.0
  B  B16  1  0.16701211  0.16634936  0.33219116  1.0
  B  B17  1  0.83459843  0.63241006  0.06580676  1.0
  B  B18  1  0.33354051  0.43399650  0.46648629  1.0
  B  B19  1  0.66878868  0.36796535  0.93301090  1.0
  B  B20  1  0.83249882  0.03190967  0.26576090  1.0
  B  B21  1  0.66620339  0.76584115  0.13253113  1.0
  B  B22  1  0.33157332  0.83241744  0.66714908  1.0
  B  B23  1  0.16619617  0.56843180  0.53533580  1.0
  B  B24  1  0.66692370  0.16644769  0.33514691  1.0
  B  B25  1  0.83422159  0.43520943  0.46934835  1.0
  B  B26  1  0.16537204  0.96548374  0.73326690  1.0
  B  B27  1  0.83506230  0.83257680  0.66729894  1.0
  B  B28  1  0.66921978  0.56799423  0.53485967  1.0
  B  B29  1  0.66751359  0.96729690  0.73322126  1.0