# generated using pymatgen
data_Zr3TiMn8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86834114
_cell_length_b   4.86834114
_cell_length_c   8.16050404
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3TiMn8
_chemical_formula_sum   'Zr3 Ti1 Mn8'
_cell_volume   167.49799850
_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
  Zr  Zr0  1  0.66666700  0.33333300  0.44179700  1
  Zr  Zr1  1  0.66666700  0.33333300  0.06367500  1
  Zr  Zr2  1  0.00000000  0.00000000  0.93120800  1
  Ti  Ti3  1  0.00000000  0.00000000  0.56355400  1
  Mn  Mn4  1  0.33333300  0.66666700  0.50138600  1
  Mn  Mn5  1  0.33333300  0.66666700  0.99990700  1
  Mn  Mn6  1  0.50250800  0.00501600  0.74581700  1
  Mn  Mn7  1  0.50250800  0.49749200  0.74581700  1
  Mn  Mn8  1  0.99498400  0.49749200  0.74581700  1
  Mn  Mn9  1  0.16293400  0.32586900  0.25366900  1
  Mn  Mn10  1  0.16293400  0.83706600  0.25366900  1
  Mn  Mn11  1  0.67413100  0.83706600  0.25366900  1
