data_BeSn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.18
_cell_angle_alpha   94.82
_cell_angle_beta   94.82
_cell_angle_gamma   35.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSn2W
_chemical_formula_sum   'Be1 Sn2 W1'
_cell_volume   74.23
_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
  Sn  Sn1  1  0.95  0.0  0.86  1.0
  Sn  Sn2  1  0.15  0.0  0.3  1.0
  W  W3  1  0.55  0.0  0.58  1.0

data_BeSn2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.01
_cell_length_c   5.18
_cell_angle_alpha   94.82
_cell_angle_beta   90.0
_cell_angle_gamma   107.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSn2W
_chemical_formula_sum   'Be1 Sn2 W1'
_cell_volume   74.23
_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
  Sn  Sn1  1  0.0  0.05  0.14  1.0
  Sn  Sn2  1  0.0  0.85  0.7  1.0
  W  W3  1  0.0  0.45  0.42  1.0

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