# generated using pymatgen
data_ScMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89554176
_cell_length_b   4.89554176
_cell_length_c   8.04778962
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2
_chemical_formula_sum   'Sc4 Mn8'
_cell_volume   167.03549392
_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  0.33333300  0.66666700  0.06307200  1
  Sc  Sc1  1  0.66666700  0.33333300  0.56307200  1
  Sc  Sc2  1  0.66666700  0.33333300  0.93692800  1
  Sc  Sc3  1  0.33333300  0.66666700  0.43692800  1
  Mn  Mn4  1  0.00000000  0.00000000  0.00000000  1
  Mn  Mn5  1  0.00000000  0.00000000  0.50000000  1
  Mn  Mn6  1  0.82901000  0.65802000  0.25000000  1
  Mn  Mn7  1  0.17099000  0.82901000  0.75000000  1
  Mn  Mn8  1  0.65802000  0.82901000  0.75000000  1
  Mn  Mn9  1  0.34198000  0.17099000  0.25000000  1
  Mn  Mn10  1  0.82901000  0.17099000  0.25000000  1
  Mn  Mn11  1  0.17099000  0.34198000  0.75000000  1
