# generated using pymatgen
data_Sc2MnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86781902
_cell_length_b   7.86782290
_cell_length_c   7.86782658
_cell_angle_alpha   60.00040551
_cell_angle_beta   60.00041815
_cell_angle_gamma   60.00046994
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnSe4
_chemical_formula_sum   'Sc4 Mn2 Se8'
_cell_volume   344.39192777
_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  0.12500522  0.12500515  0.12500517  1.0
  Sc  Sc1  1  0.62498442  0.12500534  0.12500509  1.0
  Sc  Sc2  1  0.12500511  0.62498450  0.12500524  1.0
  Sc  Sc3  1  0.12500499  0.12500504  0.62498478  1.0
  Mn  Mn4  1  0.49999994  0.49999938  0.49999927  1.0
  Mn  Mn5  1  0.75000075  0.75000005  0.75000009  1.0
  Se  Se6  1  0.36860387  0.89418854  0.36860360  1.0
  Se  Se7  1  0.88133871  0.88133853  0.35598443  1.0
  Se  Se8  1  0.35598396  0.88133886  0.88133879  1.0
  Se  Se9  1  0.88133832  0.88133854  0.88133820  1.0
  Se  Se10  1  0.89418801  0.36860376  0.36860386  1.0
  Se  Se11  1  0.36860435  0.36860413  0.36860441  1.0
  Se  Se12  1  0.36860371  0.36860375  0.89418850  1.0
  Se  Se13  1  0.88133863  0.35598445  0.88133858  1.0