data_Be2ZnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   2.55
_cell_angle_alpha   100.54
_cell_angle_beta   100.54
_cell_angle_gamma   112.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnW
_chemical_formula_sum   'Be2 Zn1 W1'
_cell_volume   49.27
_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  0.89  0.96  0.21  1.0
  Be  Be1  1  0.89  0.04  0.21  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  W  W2  1  0.61  0.0  0.0  1.0

data_Be2ZnW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   112.51
_cell_angle_beta   100.54
_cell_angle_gamma   100.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnW
_chemical_formula_sum   'Be2 Zn1 W1'
_cell_volume   49.27
_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  0.21  0.89  0.04  1.0
  Be  Be1  1  0.21  0.89  0.96  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.61  0.0  1.0

Be Be Zn W
Be Be Zn W 0 1 o + o 0 2 + + o 0 3 o + o 1 2 + o o 1 3 o o o 