# generated using pymatgen
data_TiMn(NbRu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25607546
_cell_length_b   4.39909662
_cell_length_c   8.80267435
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99981830
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn(NbRu2)2
_chemical_formula_sum   'Ti2 Mn2 Nb4 Ru8'
_cell_volume   242.25910905
_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  0.74997056  0.25000100  0.12441661  1.0
  Ti  Ti1  1  0.25002846  0.75000100  0.37555784  1.0
  Mn  Mn2  1  0.74999093  0.25000100  0.62338866  1.0
  Mn  Mn3  1  0.25001391  0.75000100  0.87662819  1.0
  Nb  Nb4  1  0.25003275  0.25000100  0.11740711  1.0
  Nb  Nb5  1  0.74997010  0.75000100  0.38257073  1.0
  Nb  Nb6  1  0.25001808  0.25000100  0.63479070  1.0
  Nb  Nb7  1  0.74998026  0.75000100  0.86523101  1.0
  Ru  Ru8  1  0.50534980  0.75000100  0.12862077  1.0
  Ru  Ru9  1  0.99465009  0.75000100  0.12862103  1.0
  Ru  Ru10  1  0.49465610  0.25000100  0.37135270  1.0
  Ru  Ru11  1  0.00534057  0.25000100  0.37135259  1.0
  Ru  Ru12  1  0.00610956  0.75000100  0.62023250  1.0
  Ru  Ru13  1  0.49389067  0.75000100  0.62023364  1.0
  Ru  Ru14  1  0.99388963  0.25000100  0.87979817  1.0
  Ru  Ru15  1  0.50610953  0.25000100  0.87979674  1.0