# generated using pymatgen
data_Gd3ScMnC6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32504741
_cell_length_b   8.32504735
_cell_length_c   5.18947758
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998242
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd3ScMnC6
_chemical_formula_sum   'Gd6 Sc2 Mn2 C12'
_cell_volume   311.47828634
_cell_formula_units_Z   2
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
  Gd  Gd0  1  0.61386613  0.67573322  0.75000000  1.0
  Gd  Gd1  1  0.93813391  0.61386613  0.25000000  1.0
  Gd  Gd2  1  0.67573322  0.06186609  0.25000000  1.0
  Gd  Gd3  1  0.32426678  0.93813391  0.75000000  1.0
  Gd  Gd4  1  0.06186609  0.38613387  0.75000000  1.0
  Gd  Gd5  1  0.38613387  0.32426678  0.25000000  1.0
  Sc  Sc6  1  0.00000000  0.00000000  0.50000000  1.0
  Sc  Sc7  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn8  1  0.66666700  0.33333300  0.75000000  1.0
  Mn  Mn9  1  0.33333300  0.66666700  0.25000000  1.0
  C  C10  1  0.96514247  0.75207176  0.75000000  1.0
  C  C11  1  0.21307171  0.96514247  0.25000000  1.0
  C  C12  1  0.75207176  0.78692829  0.25000000  1.0
  C  C13  1  0.24792824  0.21307171  0.75000000  1.0
  C  C14  1  0.78692829  0.03485753  0.75000000  1.0
  C  C15  1  0.03485753  0.24792824  0.25000000  1.0
  C  C16  1  0.85772086  0.56506726  0.75000000  1.0
  C  C17  1  0.29265361  0.85772086  0.25000000  1.0
  C  C18  1  0.56506726  0.70734639  0.25000000  1.0
  C  C19  1  0.43493274  0.29265361  0.75000000  1.0
  C  C20  1  0.14227914  0.43493274  0.25000000  1.0
  C  C21  1  0.70734639  0.14227914  0.75000000  1.0