# generated using pymatgen
data_Ti4MnSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.20554453
_cell_length_b   7.20554469
_cell_length_c   8.77943325
_cell_angle_alpha   52.36761539
_cell_angle_beta   52.36761424
_cell_angle_gamma   60.04647411
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4MnSe8
_chemical_formula_sum   'Ti4 Mn1 Se8'
_cell_volume   280.01087230
_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  0.26211959  0.73788041  0.50000000  1.0
  Ti  Ti1  1  0.73788041  0.26211959  0.50000000  1.0
  Ti  Ti2  1  0.25497400  0.25497400  0.99156624  1.0
  Ti  Ti3  1  0.74502600  0.74502600  0.00843376  1.0
  Mn  Mn4  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se5  1  0.96497988  0.96497988  0.33378024  1.0
  Se  Se6  1  0.03502012  0.03502012  0.66621976  1.0
  Se  Se7  1  0.46018490  0.46018490  0.33225038  1.0
  Se  Se8  1  0.53981510  0.53981510  0.66774962  1.0
  Se  Se9  1  0.04007789  0.53622671  0.16995635  1.0
  Se  Se10  1  0.53622671  0.04007789  0.16995635  1.0
  Se  Se11  1  0.95992211  0.46377329  0.83004365  1.0
  Se  Se12  1  0.46377329  0.95992211  0.83004365  1.0