# generated using pymatgen
data_Mg3Sc5(CoB6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29222871
_cell_length_b   8.75651391
_cell_length_c   11.05814639
_cell_angle_alpha   89.96147280
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Sc5(CoB6)4
_chemical_formula_sum   'Mg3 Sc5 Co4 B24'
_cell_volume   318.78910997
_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  0.00000000  0.94537385  0.37499170  1.0
  Mg  Mg1  1  0.00000000  0.05482232  0.62516850  1.0
  Mg  Mg2  1  0.00000000  0.55520531  0.87425808  1.0
  Sc  Sc3  1  0.00000000  0.17832225  0.91457147  1.0
  Sc  Sc4  1  0.00000000  0.82072332  0.08415386  1.0
  Sc  Sc5  1  0.00000000  0.67877024  0.58537620  1.0
  Sc  Sc6  1  0.00000000  0.32134521  0.41594989  1.0
  Sc  Sc7  1  0.00000000  0.44412433  0.12704341  1.0
  Co  Co8  1  0.00000000  0.13916524  0.18064777  1.0
  Co  Co9  1  0.00000000  0.35922702  0.68166280  1.0
  Co  Co10  1  0.00000000  0.85900502  0.81855871  1.0
  Co  Co11  1  0.00000000  0.64219354  0.31890975  1.0
  B  B12  1  0.50000000  0.36952341  0.81648788  1.0
  B  B13  1  0.50000000  0.98233582  0.21323846  1.0
  B  B14  1  0.50000000  0.55523070  0.43427540  1.0
  B  B15  1  0.50000000  0.29226030  0.23672033  1.0
  B  B16  1  0.50000000  0.20622772  0.73539654  1.0
  B  B17  1  0.50000000  0.10120677  0.47273594  1.0
  B  B18  1  0.50000000  0.79509089  0.26448331  1.0
  B  B19  1  0.50000000  0.44540017  0.56671660  1.0
  B  B20  1  0.50000000  0.24782131  0.58037627  1.0
  B  B21  1  0.50000000  0.48262713  0.28797078  1.0
  B  B22  1  0.50000000  0.70670629  0.76387740  1.0
  B  B23  1  0.50000000  0.75258599  0.41995793  1.0
  B  B24  1  0.50000000  0.51804416  0.71289597  1.0
  B  B25  1  0.50000000  0.89872229  0.52754760  1.0
  B  B26  1  0.50000000  0.05315168  0.06601490  1.0
  B  B27  1  0.50000000  0.60457185  0.02734255  1.0
  B  B28  1  0.50000000  0.74881630  0.91882703  1.0
  B  B29  1  0.50000000  0.01776156  0.78673351  1.0
  B  B30  1  0.50000000  0.39626449  0.97107629  1.0
  B  B31  1  0.50000000  0.94527395  0.93295574  1.0
  B  B32  1  0.50000000  0.63265483  0.18286573  1.0
  B  B33  1  0.50000000  0.24965102  0.07945636  1.0
  B  B34  1  0.50000000  0.87010317  0.68238682  1.0
  B  B35  1  0.50000000  0.12968858  0.31837351  1.0