# generated using pymatgen
data_Ti6Be5CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67453752
_cell_length_b   7.67453642
_cell_length_c   7.66696296
_cell_angle_alpha   60.03264297
_cell_angle_beta   60.03264770
_cell_angle_gamma   60.03631573
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6Be5CuN2
_chemical_formula_sum   'Ti12 Be10 Cu2 N4'
_cell_volume   319.55529824
_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  0.94241721  0.55854755  0.55702819  1.0
  Ti  Ti1  1  0.69145245  0.30758279  0.69297181  1.0
  Ti  Ti2  1  0.94241721  0.55854755  0.94200705  1.0
  Ti  Ti3  1  0.55854755  0.94241721  0.94200705  1.0
  Ti  Ti4  1  0.30758279  0.69145245  0.30799295  1.0
  Ti  Ti5  1  0.55854755  0.94241721  0.55702819  1.0
  Ti  Ti6  1  0.69231063  0.69231063  0.30768937  1.0
  Ti  Ti7  1  0.94315121  0.94315121  0.55684879  1.0
  Ti  Ti8  1  0.30684879  0.30684879  0.69315121  1.0
  Ti  Ti9  1  0.69145245  0.30758279  0.30799295  1.0
  Ti  Ti10  1  0.55768937  0.55768937  0.94231063  1.0
  Ti  Ti11  1  0.30758279  0.69145245  0.69297181  1.0
  Be  Be12  1  0.22443651  0.92735013  0.92410668  1.0
  Be  Be13  1  0.32365545  0.32365545  0.32767897  1.0
  Be  Be14  1  0.32365545  0.32365545  0.02500914  1.0
  Be  Be15  1  0.92735013  0.22443651  0.92410668  1.0
  Be  Be16  1  0.92634455  0.92634455  0.92232103  1.0
  Be  Be17  1  0.02556349  0.32264987  0.32589332  1.0
  Be  Be18  1  0.92634455  0.92634455  0.22499086  1.0
  Be  Be19  1  0.32264987  0.02556349  0.32589332  1.0
  Be  Be20  1  0.12500000  0.12500000  0.62500000  1.0
  Be  Be21  1  0.12500000  0.12500000  0.12500000  1.0
  Cu  Cu22  1  0.12500000  0.62500000  0.12500000  1.0
  Cu  Cu23  1  0.62500000  0.12500000  0.12500000  1.0
  N  N24  1  0.62500000  0.12500000  0.62500000  1.0
  N  N25  1  0.62500000  0.62500000  0.12500000  1.0
  N  N26  1  0.12500000  0.62500000  0.62500000  1.0
  N  N27  1  0.62500000  0.62500000  0.62500000  1.0