data_BeSnW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   139.79
_cell_angle_beta   127.45
_cell_angle_gamma   68.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSnW2
_chemical_formula_sum   'Be1 Sn1 W2'
_cell_volume   62.9
_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  0.07  1.0
  Sn  Sn1  1  0.0  0.21  0.97  1.0
  W  W2  1  0.0  0.0  0.08  1.0
  W  W3  1  0.72  0.0  0.16  1.0

data_BeSnW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.42
_cell_length_c   5.0
_cell_angle_alpha   116.27
_cell_angle_beta   110.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSnW2
_chemical_formula_sum   'Be1 Sn1 W2'
_cell_volume   62.9
_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  0.07  0.07  1.0
  Sn  Sn1  1  0.79  0.75  0.75  1.0
  W  W2  1  0.0  0.08  0.08  1.0
  W  W3  1  0.0  0.16  0.44  1.0

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