# generated using pymatgen
data_Mn2SeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85705290
_cell_length_b   5.85705290
_cell_length_c   5.85705206
_cell_angle_alpha   34.18504482
_cell_angle_beta   34.18504482
_cell_angle_gamma   34.18504235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SeS
_chemical_formula_sum   'Mn2 Se1 S1'
_cell_volume   56.55880500
_cell_formula_units_Z   1
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
  Mn  Mn0  1  0.22189300  0.22189300  0.22189300  1.0
  Mn  Mn1  1  0.77810700  0.77810700  0.77810700  1.0
  Se  Se2  1  0.00000000  0.00000000  0.00000000  1.0
  S  S3  1  0.50000000  0.50000000  0.50000000  1.0