# generated using pymatgen
data_TiMnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82856505
_cell_length_b   4.80500947
_cell_length_c   8.33977122
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnCr
_chemical_formula_sum   'Ti8 Mn8 Cr8'
_cell_volume   313.71157968
_cell_formula_units_Z   8
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  0.66658100  0.18970700  1
  Ti  Ti1  1  0.50000000  0.83335400  0.31410200  1
  Ti  Ti2  1  0.50000000  0.83335400  0.68589800  1
  Ti  Ti3  1  0.00000000  0.66658100  0.81029300  1
  Ti  Ti4  1  0.50000000  0.16658100  0.18970700  1
  Ti  Ti5  1  0.00000000  0.33333300  0.31410200  1
  Ti  Ti6  1  0.00000000  0.33333300  0.68589800  1
  Ti  Ti7  1  0.50000000  0.16658100  0.81029300  1
  Mn  Mn8  1  0.50000000  0.67003900  0.00000000  1
  Mn  Mn9  1  0.75895700  0.58582000  0.50000000  1
  Mn  Mn10  1  0.24104300  0.58582000  0.50000000  1
  Mn  Mn11  1  0.00000000  0.82772500  0.50000000  1
  Mn  Mn12  1  0.00000000  0.17003900  0.00000000  1
  Mn  Mn13  1  0.25895700  0.08582000  0.50000000  1
  Mn  Mn14  1  0.74104300  0.08582000  0.50000000  1
  Mn  Mn15  1  0.50000000  0.32772500  0.50000000  1
  Cr  Cr16  1  0.50000000  0.50130300  0.25617100  1
  Cr  Cr17  1  0.50000000  0.50130300  0.74382900  1
  Cr  Cr18  1  0.74521900  0.91403300  0.00000000  1
  Cr  Cr19  1  0.25478100  0.91403300  0.00000000  1
  Cr  Cr20  1  0.00000000  0.00130300  0.25617100  1
  Cr  Cr21  1  0.00000000  0.00130300  0.74382900  1
  Cr  Cr22  1  0.24521900  0.41403300  0.00000000  1
  Cr  Cr23  1  0.75478100  0.41403300  0.00000000  1
