# generated using pymatgen
data_TiMnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99570434
_cell_length_b   4.12404045
_cell_length_c   7.10727606
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnN2
_chemical_formula_sum   'Ti4 Mn4 N8'
_cell_volume   175.73825499
_cell_formula_units_Z   4
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  0.75000000  0.58973400  0.62575700  1
  Ti  Ti1  1  0.25000000  0.41026600  0.37424300  1
  Ti  Ti2  1  0.25000000  0.91026600  0.12575700  1
  Ti  Ti3  1  0.75000000  0.08973400  0.87424300  1
  Mn  Mn4  1  0.75000000  0.57125400  0.12776700  1
  Mn  Mn5  1  0.25000000  0.42874600  0.87223300  1
  Mn  Mn6  1  0.25000000  0.92874600  0.62776700  1
  Mn  Mn7  1  0.75000000  0.07125400  0.37223300  1
  N  N8  1  0.25000000  0.58246400  0.61725500  1
  N  N9  1  0.75000000  0.41753600  0.38274500  1
  N  N10  1  0.75000000  0.91753600  0.11725500  1
  N  N11  1  0.25000000  0.08246400  0.88274500  1
  N  N12  1  0.25000000  0.57558300  0.13164800  1
  N  N13  1  0.75000000  0.42441700  0.86835200  1
  N  N14  1  0.75000000  0.92441700  0.63164800  1
  N  N15  1  0.25000000  0.07558300  0.36835200  1
