# generated using pymatgen
data_Ti12Be7Cu5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73088919
_cell_length_b   7.73088023
_cell_length_c   7.73088851
_cell_angle_alpha   59.99996883
_cell_angle_beta   60.00000712
_cell_angle_gamma   59.99995908
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12Be7Cu5N4
_chemical_formula_sum   'Ti12 Be7 Cu5 N4'
_cell_volume   326.71764689
_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  0.93971722  0.56235373  0.55821183  1.0
  Ti  Ti1  1  0.69093320  0.30892414  0.69093320  1.0
  Ti  Ti2  1  0.93971722  0.56235373  0.93971722  1.0
  Ti  Ti3  1  0.55846891  0.94152156  0.94153961  1.0
  Ti  Ti4  1  0.30921612  0.68659870  0.30921612  1.0
  Ti  Ti5  1  0.55846891  0.94152156  0.55846891  1.0
  Ti  Ti6  1  0.69496905  0.68659870  0.30921612  1.0
  Ti  Ti7  1  0.94153961  0.94152156  0.55846891  1.0
  Ti  Ti8  1  0.30920947  0.30892414  0.69093320  1.0
  Ti  Ti9  1  0.69093320  0.30892414  0.30920947  1.0
  Ti  Ti10  1  0.55821183  0.56235373  0.93971722  1.0
  Ti  Ti11  1  0.30921612  0.68659870  0.69496905  1.0
  Be  Be12  1  0.22849611  0.92185895  0.92482297  1.0
  Be  Be13  1  0.32565802  0.32604874  0.32565802  1.0
  Be  Be14  1  0.32565802  0.32604874  0.02263523  1.0
  Be  Be15  1  0.92284601  0.23146197  0.92284601  1.0
  Be  Be16  1  0.92482297  0.92185895  0.92482297  1.0
  Be  Be17  1  0.02263523  0.32604874  0.32565802  1.0
  Be  Be18  1  0.92482297  0.92185895  0.22849611  1.0
  Cu  Cu19  1  0.32928479  0.01214464  0.32928479  1.0
  Cu  Cu20  1  0.12533244  0.62400369  0.12533244  1.0
  Cu  Cu21  1  0.11844788  0.13034373  0.63276052  1.0
  Cu  Cu22  1  0.63276052  0.13034373  0.11844788  1.0
  Cu  Cu23  1  0.11844788  0.13034373  0.11844788  1.0
  N  N24  1  0.62517164  0.12448408  0.62517164  1.0
  N  N25  1  0.62494843  0.62498732  0.12511583  1.0
  N  N26  1  0.12511583  0.62498732  0.62494843  1.0
  N  N27  1  0.62494843  0.62498732  0.62494843  1.0