data_BeCo6W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo6W
_chemical_formula_sum   'Be4 Co24 W4'
_cell_volume   346.66
_cell_formula_units_Z   4
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  0.47  0.63  0.0  1.0
  Be  Be1  1  0.47  0.37  0.0  1.0
  Be  Be2  1  0.0  0.0  0.52  1.0
  Be  Be3  1  0.0  0.0  0.44  1.0
  Co  Co4  1  0.47  0.48  0.54  1.0
  Co  Co5  1  0.67  0.72  0.76  1.0
  Co  Co6  1  0.28  0.28  0.76  1.0
  Co  Co7  1  0.47  0.52  0.54  1.0
  Co  Co8  1  0.28  0.72  0.76  1.0
  Co  Co9  1  0.67  0.28  0.76  1.0
  Co  Co10  1  0.0  0.0  0.98  1.0
  Co  Co11  1  0.28  0.23  0.27  1.0
  Co  Co12  1  0.28  0.77  0.27  1.0
  Co  Co13  1  0.47  0.48  0.42  1.0
  Co  Co14  1  0.67  0.77  0.7  1.0
  Co  Co15  1  0.28  0.23  0.7  1.0
  Co  Co16  1  0.47  0.52  0.42  1.0
  Co  Co17  1  0.28  0.77  0.7  1.0
  Co  Co18  1  0.67  0.23  0.7  1.0
  Co  Co19  1  0.0  0.0  0.0  1.0
  Co  Co20  1  0.28  0.28  0.2  1.0
  Co  Co21  1  0.28  0.72  0.2  1.0
  Co  Co22  1  0.47  0.0  0.98  1.0
  Co  Co23  1  0.67  0.23  0.27  1.0
  Co  Co24  1  0.67  0.77  0.27  1.0
  Co  Co25  1  0.47  0.0  0.0  1.0
  Co  Co26  1  0.67  0.28  0.2  1.0
  Co  Co27  1  0.67  0.72  0.2  1.0
  W  W28  1  0.47  0.57  0.98  1.0
  W  W29  1  0.47  0.43  0.98  1.0
  W  W30  1  0.47  0.0  0.54  1.0
  W  W31  1  0.47  0.0  0.43  1.0

data_BeCo6W
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo6W
_chemical_formula_sum   'Be4 Co24 W4'
_cell_volume   346.66
_cell_formula_units_Z   4
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  0.44  1.0
  Be  Be1  1  0.0  0.0  0.52  1.0
  Be  Be2  1  0.47  0.37  0.0  1.0
  Be  Be3  1  0.47  0.63  0.0  1.0
  Co  Co4  1  0.0  0.0  0.0  1.0
  Co  Co5  1  0.0  0.0  0.98  1.0
  Co  Co6  1  0.28  0.23  0.27  1.0
  Co  Co7  1  0.28  0.23  0.7  1.0
  Co  Co8  1  0.28  0.77  0.27  1.0
  Co  Co9  1  0.28  0.77  0.7  1.0
  Co  Co10  1  0.28  0.28  0.2  1.0
  Co  Co11  1  0.28  0.28  0.76  1.0
  Co  Co12  1  0.28  0.72  0.2  1.0
  Co  Co13  1  0.28  0.72  0.76  1.0
  Co  Co14  1  0.47  0.0  0.0  1.0
  Co  Co15  1  0.47  0.0  0.98  1.0
  Co  Co16  1  0.47  0.48  0.42  1.0
  Co  Co17  1  0.47  0.48  0.54  1.0
  Co  Co18  1  0.47  0.52  0.42  1.0
  Co  Co19  1  0.47  0.52  0.54  1.0
  Co  Co20  1  0.67  0.28  0.2  1.0
  Co  Co21  1  0.67  0.28  0.76  1.0
  Co  Co22  1  0.67  0.72  0.2  1.0
  Co  Co23  1  0.67  0.72  0.76  1.0
  Co  Co24  1  0.67  0.23  0.27  1.0
  Co  Co25  1  0.67  0.23  0.7  1.0
  Co  Co26  1  0.67  0.77  0.27  1.0
  Co  Co27  1  0.67  0.77  0.7  1.0
  W  W28  1  0.47  0.0  0.43  1.0
  W  W29  1  0.47  0.0  0.54  1.0
  W  W30  1  0.47  0.43  0.98  1.0
  W  W31  1  0.47  0.57  0.98  1.0

Be Be Be Be Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co W W W W
Be Be Be Be Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co W W W W 0 28 o o - 1 29 o o - 2 3 o o o 4 7 o o o 5 14 o o o 6 15 o o o 8 17 o o o 9 18 o o o 10 19 o o + 11 20 o o o 12 21 o o o 13 16 o o o 22 25 o o + 23 26 o o o 24 27 o o o 30 31 o o o 