# generated using pymatgen
data_Ti4Mn5V3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89180644
_cell_length_b   4.85319425
_cell_length_c   8.43043583
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Mn5V3
_chemical_formula_sum   'Ti8 Mn10 V6'
_cell_volume   322.88965153
_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  0.50000000  0.16629200  0.31065300  1
  Ti  Ti1  1  0.00000000  0.33391000  0.18390200  1
  Ti  Ti2  1  0.00000000  0.33391000  0.81609800  1
  Ti  Ti3  1  0.50000000  0.16629200  0.68934700  1
  Ti  Ti4  1  0.00000000  0.66629200  0.31065300  1
  Ti  Ti5  1  0.50000000  0.83391000  0.18390200  1
  Ti  Ti6  1  0.50000000  0.83391000  0.81609800  1
  Ti  Ti7  1  0.00000000  0.66629200  0.68934700  1
  Mn  Mn8  1  0.75733000  0.41646400  0.50000000  1
  Mn  Mn9  1  0.24267000  0.41646400  0.50000000  1
  Mn  Mn10  1  0.50000000  0.32791100  0.00000000  1
  Mn  Mn11  1  0.73960300  0.08706400  0.00000000  1
  Mn  Mn12  1  0.26039700  0.08706400  0.00000000  1
  Mn  Mn13  1  0.25733000  0.91646400  0.50000000  1
  Mn  Mn14  1  0.74267000  0.91646400  0.50000000  1
  Mn  Mn15  1  0.00000000  0.82791100  0.00000000  1
  Mn  Mn16  1  0.23960300  0.58706400  0.00000000  1
  Mn  Mn17  1  0.76039700  0.58706400  0.00000000  1
  V  V18  1  0.50000000  0.49634000  0.24377800  1
  V  V19  1  0.50000000  0.49634000  0.75622200  1
  V  V20  1  0.00000000  0.17205300  0.50000000  1
  V  V21  1  0.00000000  0.99634000  0.24377800  1
  V  V22  1  0.00000000  0.99634000  0.75622200  1
  V  V23  1  0.50000000  0.67205300  0.50000000  1
