# generated using pymatgen
data_Sc2MnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50439800
_cell_length_b   7.50439702
_cell_length_c   7.50439712
_cell_angle_alpha   60.00043422
_cell_angle_beta   60.00042076
_cell_angle_gamma   60.00035465
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnS4
_chemical_formula_sum   'Sc4 Mn2 S8'
_cell_volume   298.83842716
_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
  Sc  Sc0  1  0.12500000  0.12499896  0.62500006  1.0
  Sc  Sc1  1  0.62499969  0.12500096  0.12500059  1.0
  Sc  Sc2  1  0.12500060  0.62500029  0.12499904  1.0
  Sc  Sc3  1  0.12499909  0.12500051  0.12500055  1.0
  Mn  Mn4  1  0.49999974  0.49999998  0.50000022  1.0
  Mn  Mn5  1  0.75000029  0.74999984  0.74999942  1.0
  S  S6  1  0.36850700  0.36850734  0.36850726  1.0
  S  S7  1  0.88149382  0.35551915  0.88149267  1.0
  S  S8  1  0.36850678  0.89448142  0.36850621  1.0
  S  S9  1  0.88149357  0.88149313  0.35551892  1.0
  S  S10  1  0.35551848  0.88149391  0.88149353  1.0
  S  S11  1  0.36850656  0.36850629  0.89448165  1.0
  S  S12  1  0.89448069  0.36850649  0.36850661  1.0
  S  S13  1  0.88149271  0.88149272  0.88149326  1.0