# generated using pymatgen
data_Ti3Co5B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43748056
_cell_length_b   8.43748056
_cell_length_c   3.05790714
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Co5B2
_chemical_formula_sum   'Ti6 Co10 B4'
_cell_volume   217.69570633
_cell_formula_units_Z   2
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
  Ti  Ti1  1  0.50000000  0.50000000  0.00000000  1
  Ti  Ti2  1  0.82532500  0.32532500  0.00000000  1
  Ti  Ti3  1  0.32532500  0.17467500  0.00000000  1
  Ti  Ti4  1  0.67467500  0.82532500  0.00000000  1
  Ti  Ti5  1  0.17467500  0.67467500  0.00000000  1
  Co  Co6  1  0.50000000  0.00000000  0.50000000  1
  Co  Co7  1  0.00000000  0.50000000  0.50000000  1
  Co  Co8  1  0.07081300  0.22053500  0.50000000  1
  Co  Co9  1  0.22053500  0.92918700  0.50000000  1
  Co  Co10  1  0.77946500  0.07081300  0.50000000  1
  Co  Co11  1  0.92918700  0.77946500  0.50000000  1
  Co  Co12  1  0.42918700  0.72053500  0.50000000  1
  Co  Co13  1  0.57081300  0.27946500  0.50000000  1
  Co  Co14  1  0.72053500  0.57081300  0.50000000  1
  Co  Co15  1  0.27946500  0.42918700  0.50000000  1
  B  B16  1  0.62011000  0.12011000  0.00000000  1
  B  B17  1  0.12011000  0.37989000  0.00000000  1
  B  B18  1  0.87989000  0.62011000  0.00000000  1
  B  B19  1  0.37989000  0.87989000  0.00000000  1
