# generated using pymatgen
data_Sc2MnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.15071134
_cell_length_b   11.15071134
_cell_length_c   11.15071134
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnSe4
_chemical_formula_sum   'Sc16 Mn8 Se32'
_cell_volume   1386.46119863
_cell_formula_units_Z   8
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  0.12500000  0.62500000  0.62500000  1
  Sc  Sc1  1  0.62500000  0.87500000  0.37500000  1
  Sc  Sc2  1  0.87500000  0.62500000  0.37500000  1
  Sc  Sc3  1  0.37500000  0.87500000  0.62500000  1
  Sc  Sc4  1  0.12500000  0.12500000  0.12500000  1
  Sc  Sc5  1  0.62500000  0.37500000  0.87500000  1
  Sc  Sc6  1  0.87500000  0.12500000  0.87500000  1
  Sc  Sc7  1  0.37500000  0.37500000  0.12500000  1
  Sc  Sc8  1  0.62500000  0.62500000  0.12500000  1
  Sc  Sc9  1  0.12500000  0.87500000  0.87500000  1
  Sc  Sc10  1  0.37500000  0.62500000  0.87500000  1
  Sc  Sc11  1  0.87500000  0.87500000  0.12500000  1
  Sc  Sc12  1  0.62500000  0.12500000  0.62500000  1
  Sc  Sc13  1  0.12500000  0.37500000  0.37500000  1
  Sc  Sc14  1  0.37500000  0.12500000  0.37500000  1
  Sc  Sc15  1  0.87500000  0.37500000  0.62500000  1
  Mn  Mn16  1  0.50000000  0.00000000  0.00000000  1
  Mn  Mn17  1  0.75000000  0.75000000  0.75000000  1
  Mn  Mn18  1  0.50000000  0.50000000  0.50000000  1
  Mn  Mn19  1  0.75000000  0.25000000  0.25000000  1
  Mn  Mn20  1  0.00000000  0.00000000  0.50000000  1
  Mn  Mn21  1  0.25000000  0.75000000  0.25000000  1
  Mn  Mn22  1  0.00000000  0.50000000  0.00000000  1
  Mn  Mn23  1  0.25000000  0.25000000  0.75000000  1
  Se  Se24  1  0.63088700  0.86911300  0.13088700  1
  Se  Se25  1  0.61911300  0.11911300  0.38088700  1
  Se  Se26  1  0.38088700  0.11911300  0.61911300  1
  Se  Se27  1  0.38088700  0.88088700  0.38088700  1
  Se  Se28  1  0.86911300  0.63088700  0.13088700  1
  Se  Se29  1  0.86911300  0.86911300  0.36911300  1
  Se  Se30  1  0.63088700  0.63088700  0.36911300  1
  Se  Se31  1  0.61911300  0.88088700  0.61911300  1
  Se  Se32  1  0.63088700  0.36911300  0.63088700  1
  Se  Se33  1  0.61911300  0.61911300  0.88088700  1
  Se  Se34  1  0.38088700  0.61911300  0.11911300  1
  Se  Se35  1  0.38088700  0.38088700  0.88088700  1
  Se  Se36  1  0.86911300  0.13088700  0.63088700  1
  Se  Se37  1  0.86911300  0.36911300  0.86911300  1
  Se  Se38  1  0.63088700  0.13088700  0.86911300  1
  Se  Se39  1  0.61911300  0.38088700  0.11911300  1
  Se  Se40  1  0.13088700  0.86911300  0.63088700  1
  Se  Se41  1  0.11911300  0.11911300  0.88088700  1
  Se  Se42  1  0.88088700  0.11911300  0.11911300  1
  Se  Se43  1  0.88088700  0.88088700  0.88088700  1
  Se  Se44  1  0.36911300  0.63088700  0.63088700  1
  Se  Se45  1  0.36911300  0.86911300  0.86911300  1
  Se  Se46  1  0.13088700  0.63088700  0.86911300  1
  Se  Se47  1  0.11911300  0.88088700  0.11911300  1
  Se  Se48  1  0.13088700  0.36911300  0.13088700  1
  Se  Se49  1  0.11911300  0.61911300  0.38088700  1
  Se  Se50  1  0.88088700  0.61911300  0.61911300  1
  Se  Se51  1  0.88088700  0.38088700  0.38088700  1
  Se  Se52  1  0.36911300  0.13088700  0.13088700  1
  Se  Se53  1  0.36911300  0.36911300  0.36911300  1
  Se  Se54  1  0.13088700  0.13088700  0.36911300  1
  Se  Se55  1  0.11911300  0.38088700  0.61911300  1
