data_BeBiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   144.72
_cell_angle_beta   144.72
_cell_angle_gamma   50.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBiMo
_chemical_formula_sum   'Be1 Bi1 Mo1'
_cell_volume   52.71
_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  0.54  1.0
  Bi  Bi1  1  0.0  0.0  0.16  1.0
  Mo  Mo2  1  0.0  0.0  0.08  1.0

data_BeBiMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   115.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeBiMo
_chemical_formula_sum   'Be2 Bi2 Mo2'
_cell_volume   105.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.46  1.0
  Bi  Bi1  2  0.0  0.0  0.84  1.0
  Mo  Mo2  2  0.0  0.0  0.92  1.0

Be Bi Mo
Be Bi Mo 0 1 o o o 1 2 o o o 