data_BeBMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.35
_cell_length_c   4.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBMo2
_chemical_formula_sum   'Be1 B1 Mo2'
_cell_volume   46.37
_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
  Be  Be1  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.68  0.12  1.0
  Mo  Mo2  1  0.63  0.0  0.12  1.0
  Mo  Mo3  1  0.63  0.68  0.0  1.0

data_BeBMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.35
_cell_length_c   4.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBMo2
_chemical_formula_sum   'Be1 B1 Mo2'
_cell_volume   46.37
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.0  0.68  0.12  1.0
  Mo  Mo2  1  0.63  0.0  0.12  1.0
  Mo  Mo3  1  0.63  0.68  0.0  1.0

Be B Mo Mo
Be B Mo Mo 0 2 - o o 0 1 o - o 1 3 - o o 2 3 o - o 