data_BeGa2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   136.54
_cell_angle_beta   136.54
_cell_angle_gamma   63.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2W
_chemical_formula_sum   'Be1 Ga2 W1'
_cell_volume   54.12
_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
  Ga  Ga1  1  0.8  0.0  0.08  1.0
  Ga  Ga2  1  0.0  0.8  0.08  1.0
  W  W3  1  0.0  0.0  0.15  1.0

data_BeGa2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   121.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeGa2W
_chemical_formula_sum   'Be2 Ga4 W2'
_cell_volume   108.23
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  '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  2  0.0  0.0  0.0  1.0
  Ga  Ga1  4  0.33  0.4  0.73  1.0
  W  W2  2  0.35  0.5  0.85  1.0

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