# generated using pymatgen
data_ScMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34235869
_cell_length_b   5.34235909
_cell_length_c   8.23470183
_cell_angle_alpha   89.99998683
_cell_angle_beta   89.99995938
_cell_angle_gamma   119.99829078
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2
_chemical_formula_sum   'Sc4 Mn8'
_cell_volume   203.54109643
_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  0.33333043  0.66666731  0.06594515  1.0
  Sc  Sc1  1  0.66667020  0.33333350  0.56599230  1.0
  Sc  Sc2  1  0.66666957  0.33333269  0.93405485  1.0
  Sc  Sc3  1  0.33332980  0.66666650  0.43400770  1.0
  Mn  Mn4  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn5  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn6  1  0.82901687  0.65803590  0.24994394  1.0
  Mn  Mn7  1  0.17098692  0.82902464  0.75005590  1.0
  Mn  Mn8  1  0.65804256  0.82902651  0.75005593  1.0
  Mn  Mn9  1  0.34195744  0.17097349  0.24994407  1.0
  Mn  Mn10  1  0.82901308  0.17097536  0.24994410  1.0
  Mn  Mn11  1  0.17098313  0.34196410  0.75005606  1.0