data_BeW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   4.17
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   102.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeW2Cl
_chemical_formula_sum   'Be1 W2 Cl1'
_cell_volume   71.58
_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
  W  W2  1  0.83  0.08  0.89  1.0
  W  W3  1  0.23  0.08  0.43  1.0
  Cl  Cl1  1  0.03  0.0  0.66  1.0

data_BeW2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.17
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   102.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeW2Cl
_chemical_formula_sum   'Be1 W2 Cl1'
_cell_volume   71.58
_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
  W  W1  1  0.23  0.08  0.43  1.0
  W  W2  1  0.83  0.08  0.89  1.0
  Cl  Cl3  1  0.03  0.0  0.66  1.0

Be W W Cl
Be W W Cl 0 1 - o - 0 3 o o - 1 3 + o o 2 3 o o o 