data_Be2BW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   2.57
_cell_angle_alpha   104.46
_cell_angle_beta   104.46
_cell_angle_gamma   121.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2BW
_chemical_formula_sum   'Be2 B1 W1'
_cell_volume   41.63
_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  Be1  1  0.49  0.06  0.1  1.0
  Be  Be2  1  0.49  0.94  0.1  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.29  0.0  0.0  1.0

data_Be2BW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   3.93
_cell_length_c   4.72
_cell_angle_alpha   113.72
_cell_angle_beta   104.46
_cell_angle_gamma   93.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2BW
_chemical_formula_sum   'Be2 B1 W1'
_cell_volume   41.63
_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  0.04  0.94  0.42  1.0
  Be  Be1  1  0.16  0.06  0.55  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.29  1.0

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