# generated using pymatgen
data_Be3Ni3Mo6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53557618
_cell_length_b   7.54157579
_cell_length_c   7.54157526
_cell_angle_alpha   60.15214730
_cell_angle_beta   60.02631793
_cell_angle_gamma   60.02631292
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Ni3Mo6C
_chemical_formula_sum   'Be6 Ni6 Mo12 C2'
_cell_volume   303.52575744
_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
  Be  Be0  1  0.32961826  0.33000306  0.01075843  1.0
  Be  Be1  1  0.32551689  0.32851451  0.32851451  1.0
  Be  Be2  1  0.22634998  0.92580671  0.92580671  1.0
  Be  Be3  1  0.92203760  0.92580671  0.92580671  1.0
  Be  Be4  1  0.01745208  0.32851451  0.32851451  1.0
  Be  Be5  1  0.32961826  0.01075843  0.33000306  1.0
  Ni  Ni6  1  0.13120030  0.61742128  0.12017713  1.0
  Ni  Ni7  1  0.13120030  0.12017713  0.61742128  1.0
  Ni  Ni8  1  0.60913420  0.12749851  0.12749851  1.0
  Ni  Ni9  1  0.13586778  0.12749851  0.12749851  1.0
  Ni  Ni10  1  0.91847092  0.91784550  0.24521467  1.0
  Ni  Ni11  1  0.91847092  0.24521467  0.91784550  1.0
  Mo  Mo12  1  0.30135891  0.69864109  0.69864109  1.0
  Mo  Mo13  1  0.70146697  0.69876002  0.29812823  1.0
  Mo  Mo14  1  0.70146697  0.29812823  0.69876002  1.0
  Mo  Mo15  1  0.30164478  0.69876002  0.29812823  1.0
  Mo  Mo16  1  0.54771399  0.95082756  0.55315597  1.0
  Mo  Mo17  1  0.55047731  0.94952269  0.94952269  1.0
  Mo  Mo18  1  0.95022967  0.54977033  0.54977033  1.0
  Mo  Mo19  1  0.94830248  0.55315597  0.95082756  1.0
  Mo  Mo20  1  0.30164478  0.29812823  0.69876002  1.0
  Mo  Mo21  1  0.54771399  0.55315597  0.95082756  1.0
  Mo  Mo22  1  0.94830248  0.95082756  0.55315597  1.0
  Mo  Mo23  1  0.70241614  0.29758386  0.29758386  1.0
  C  C24  1  0.50223806  0.49776194  0.49776194  1.0
  C  C25  1  0.75008597  0.74991403  0.74991403  1.0