data_Be2MoCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2MoCl
_chemical_formula_sum   'Be2 Mo1 Cl1'
_cell_volume   54.08
_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  0.63  0.0  0.43  1.0
  Be  Be1  1  0.63  0.0  0.85  1.0
  Mo  Mo3  1  0.0  0.0  0.64  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Be2MoCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2MoCl
_chemical_formula_sum   'Be2 Mo1 Cl1'
_cell_volume   54.08
_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  0.63  0.0  0.43  1.0
  Be  Be1  1  0.63  0.0  0.85  1.0
  Mo  Mo2  1  0.0  0.0  0.64  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Be Be Mo Cl
Be Be Mo Cl 0 2 + o o 1 3 + o + 1 2 + o o 