data_Be4NbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be4NbMo
_chemical_formula_sum   'Be8 Nb2 Mo2'
_cell_volume   132.58
_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  0.0  0.0  0.71  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.38  0.67  0.9  1.0
  Be  Be3  1  0.27  0.59  0.9  1.0
  Be  Be4  1  0.16  0.67  0.9  1.0
  Be  Be5  1  0.89  0.26  0.52  1.0
  Be  Be6  1  0.0  0.34  0.52  1.0
  Be  Be7  1  0.11  0.26  0.52  1.0
  Nb  Nb8  1  0.27  0.31  0.89  1.0
  Nb  Nb9  1  0.0  0.62  0.52  1.0
  Mo  Mo10  1  0.0  0.62  0.26  1.0
  Mo  Mo11  1  0.27  0.31  0.16  1.0

data_Be4NbMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be4NbMo
_chemical_formula_sum   'Be8 Nb2 Mo2'
_cell_volume   132.58
_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  0.0  0.0  0.0  1.0
  Be  Be1  1  0.0  0.0  0.71  1.0
  Be  Be2  1  0.0  0.34  0.52  1.0
  Be  Be3  1  0.11  0.26  0.52  1.0
  Be  Be4  1  0.16  0.67  0.9  1.0
  Be  Be5  1  0.27  0.59  0.9  1.0
  Be  Be6  1  0.38  0.67  0.9  1.0
  Be  Be7  1  0.89  0.26  0.52  1.0
  Nb  Nb8  1  0.0  0.62  0.52  1.0
  Nb  Nb9  1  0.27  0.31  0.89  1.0
  Mo  Mo10  1  0.0  0.62  0.26  1.0
  Mo  Mo11  1  0.27  0.31  0.16  1.0

Be Be Be Be Be Be Be Be Nb Nb Mo Mo
Be Be Be Be Be Be Be Be Nb Nb Mo Mo 0 7 o o o 0 6 o o o 0 5 - o o 0 9 o - o 0 1 o o + 0 8 o o o 1 8 o o - 1 11 o o o 1 10 o - o 2 3 o o o 2 8 o o o 3 4 o o o 3 8 o o o 5 6 + o o 5 9 + o o 5 10 + o o 6 7 o o o 6 9 o o o 6 10 o o o 8 11 o o + 9 10 o o o 10 11 o o o 