# generated using pymatgen
data_TiMnSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53611413
_cell_length_b   12.80388918
_cell_length_c   4.57098130
_cell_angle_alpha   90.00000000
_cell_angle_beta   119.44930665
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnSi4
_chemical_formula_sum   'Ti3 Mn3 Si12'
_cell_volume   231.17947509
_cell_formula_units_Z   3
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  0.24909800  0.50000000  1
  Ti  Ti1  1  0.50000000  0.58563400  0.50000000  1
  Ti  Ti2  1  0.50000000  0.08128300  0.50000000  1
  Mn  Mn3  1  0.50000000  0.91173400  0.00000000  1
  Mn  Mn4  1  0.50000000  0.41800200  0.00000000  1
  Mn  Mn5  1  0.00000000  0.75498000  0.50000000  1
  Si  Si6  1  0.84173100  0.91408100  0.66780900  1
  Si  Si7  1  0.83299200  0.41729000  0.67329400  1
  Si  Si8  1  0.33042800  0.75224200  0.16072600  1
  Si  Si9  1  0.32248300  0.25254500  0.15838300  1
  Si  Si10  1  0.83715100  0.58422400  0.16791200  1
  Si  Si11  1  0.83379800  0.07925200  0.15522800  1
  Si  Si12  1  0.15826900  0.91408100  0.33219100  1
  Si  Si13  1  0.16700800  0.41729000  0.32670600  1
  Si  Si14  1  0.66957200  0.75224200  0.83927400  1
  Si  Si15  1  0.67751700  0.25254500  0.84161700  1
  Si  Si16  1  0.16284900  0.58422400  0.83208800  1
  Si  Si17  1  0.16620200  0.07925200  0.84477200  1
