# generated using pymatgen
data_Ti3Mn2NbB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78739234
_cell_length_b   5.78739265
_cell_length_c   3.16841077
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.01208993
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Mn2NbB4
_chemical_formula_sum   'Ti3 Mn2 Nb1 B4'
_cell_volume   106.12246865
_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  0.81777220  0.67975800  0.50000000  1.0
  Ti  Ti1  1  0.17975800  0.31777220  0.50000000  1.0
  Ti  Ti2  1  0.68308153  0.18308153  0.50000000  1.0
  Mn  Mn3  1  0.50115951  0.49712275  0.00000000  1.0
  Mn  Mn4  1  0.99712275  0.00115951  0.00000000  1.0
  Nb  Nb5  1  0.31847321  0.81847321  0.50000000  1.0
  B  B6  1  0.10558040  0.60558040  0.00000000  1.0
  B  B7  1  0.88900455  0.38900455  0.00000000  1.0
  B  B8  1  0.61528331  0.89276454  0.00000000  1.0
  B  B9  1  0.39276454  0.11528331  0.00000000  1.0