# generated using pymatgen
data_Ti3MnSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21277276
_cell_length_b   7.21277240
_cell_length_c   7.21277277
_cell_angle_alpha   51.37596114
_cell_angle_beta   51.37596400
_cell_angle_gamma   51.37596158
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3MnSe6
_chemical_formula_sum   'Ti3 Mn1 Se6'
_cell_volume   211.44292159
_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
  Ti  Ti0  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.33270374  0.33270374  0.33270374  1.0
  Ti  Ti2  1  0.66729626  0.66729626  0.66729626  1.0
  Mn  Mn3  1  0.50000000  0.50000000  0.50000000  1.0
  Se  Se4  1  0.92122947  0.58574309  0.24891799  1.0
  Se  Se5  1  0.58574309  0.24891799  0.92122947  1.0
  Se  Se6  1  0.24891799  0.92122947  0.58574309  1.0
  Se  Se7  1  0.75108201  0.07877053  0.41425691  1.0
  Se  Se8  1  0.41425691  0.75108201  0.07877053  1.0
  Se  Se9  1  0.07877053  0.41425691  0.75108201  1.0