data_BeB2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   3.14
_cell_length_c   4.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeB2Mo
_chemical_formula_sum   'Be1 B2 Mo1'
_cell_volume   36.84
_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  Be2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.57  0.06  1.0
  B  B1  1  0.0  0.57  0.94  1.0
  Mo  Mo3  1  0.46  0.0  1.0  1.0

data_BeB2Mo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.93
_cell_length_b   4.0
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BeB2Mo
_chemical_formula_sum   'Be1 B2 Mo1'
_cell_volume   36.84
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.0  0.06  0.57  1.0
  Mo  Mo2  1  0.46  0.0  0.0  1.0

Be B B Mo