data_BeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeW
_chemical_formula_sum   'Be2 W2'
_cell_volume   52.49
_cell_formula_units_Z   2
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  0.6  0.0  0.45  1.0
  Be  Be1  1  0.0  0.6  0.69  1.0
  W  W2  1  0.6  0.0  0.88  1.0
  W  W3  1  0.0  0.6  0.26  1.0

data_BeW
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   BeW
_chemical_formula_sum   'Be4 W4'
_cell_volume   104.98
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.2  0.0  0.62  1.0
  W  W1  4  0.2  0.0  0.19  1.0

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