data_BeAlMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   4.06
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   102.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAlMo2
_chemical_formula_sum   'Be1 Al1 Mo2'
_cell_volume   56.3
_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
  Al  Al0  1  0.43  0.0  0.59  1.0
  Mo  Mo2  1  0.01  0.03  0.25  1.0
  Mo  Mo3  1  0.52  0.03  0.94  1.0

data_BeAlMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.06
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   102.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAlMo2
_chemical_formula_sum   'Be1 Al1 Mo2'
_cell_volume   56.3
_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
  Al  Al1  1  0.43  0.0  0.59  1.0
  Mo  Mo2  1  0.01  0.03  0.25  1.0
  Mo  Mo3  1  0.52  0.03  0.94  1.0

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