# generated using pymatgen
data_MgSc2(Co3B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65203178
_cell_length_b   5.65203166
_cell_length_c   5.65203023
_cell_angle_alpha   95.51298081
_cell_angle_beta   95.51299024
_cell_angle_gamma   95.51298609
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc2(Co3B2)3
_chemical_formula_sum   'Mg1 Sc2 Co9 B6'
_cell_volume   177.87700564
_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  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.67378253  0.67378253  0.67378253  1.0
  Sc  Sc2  1  0.32621747  0.32621747  0.32621747  1.0
  Co  Co3  1  0.50000000  0.00000000  0.00000000  1.0
  Co  Co4  1  0.00000000  0.50000000  0.00000000  1.0
  Co  Co5  1  0.00000000  0.00000000  0.50000000  1.0
  Co  Co6  1  0.70293769  0.20015489  0.70293769  1.0
  Co  Co7  1  0.70293769  0.70293769  0.20015489  1.0
  Co  Co8  1  0.20015489  0.70293769  0.70293769  1.0
  Co  Co9  1  0.29706231  0.79984511  0.29706231  1.0
  Co  Co10  1  0.29706231  0.29706231  0.79984511  1.0
  Co  Co11  1  0.79984511  0.29706231  0.29706231  1.0
  B  B12  1  0.38542159  0.00000000  0.61457841  1.0
  B  B13  1  0.61457841  0.38542159  1.00000000  1.0
  B  B14  1  0.00000000  0.61457841  0.38542159  1.0
  B  B15  1  0.61457841  1.00000000  0.38542159  1.0
  B  B16  1  0.38542159  0.61457841  0.00000000  1.0
  B  B17  1  1.00000000  0.38542159  0.61457841  1.0