# generated using pymatgen
data_Ti3Nb7N12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21732141
_cell_length_b   5.21732233
_cell_length_c   10.24116040
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000048
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb7N12
_chemical_formula_sum   'Ti3 Nb7 N12'
_cell_volume   241.42100772
_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  0.33333300  0.66666700  0.00000000  1.0
  Ti  Ti1  1  0.33333300  0.66666700  0.50000000  1.0
  Ti  Ti2  1  0.66666700  0.33333300  0.50000000  1.0
  Nb  Nb3  1  0.67886739  0.67977871  0.74824543  1.0
  Nb  Nb4  1  0.32022129  0.99908868  0.74824543  1.0
  Nb  Nb5  1  0.00091132  0.32113261  0.74824543  1.0
  Nb  Nb6  1  0.32022129  0.32113261  0.25175457  1.0
  Nb  Nb7  1  0.67886739  0.99908868  0.25175457  1.0
  Nb  Nb8  1  0.00091132  0.67977871  0.25175457  1.0
  Nb  Nb9  1  0.66666700  0.33333300  0.00000000  1.0
  N  N10  1  0.64978821  0.64983221  0.38130762  1.0
  N  N11  1  0.35016779  0.99995601  0.38130762  1.0
  N  N12  1  0.00004399  0.35021179  0.38130762  1.0
  N  N13  1  0.35016779  0.35021179  0.61869238  1.0
  N  N14  1  0.64978821  0.99995601  0.61869238  1.0
  N  N15  1  0.00004399  0.64983221  0.61869238  1.0
  N  N16  1  0.34312829  0.34820303  0.87930719  1.0
  N  N17  1  0.65179697  0.99492426  0.87930719  1.0
  N  N18  1  0.00507574  0.65687171  0.87930719  1.0
  N  N19  1  0.65179697  0.65687171  0.12069281  1.0
  N  N20  1  0.34312829  0.99492426  0.12069281  1.0
  N  N21  1  0.00507574  0.34820303  0.12069281  1.0