data_BeAgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.15
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   99.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgW2
_chemical_formula_sum   'Be1 Ag1 W2'
_cell_volume   60.43
_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  0.45  0.0  0.09  1.0
  Ag  Ag0  1  0.5  0.07  0.73  1.0
  W  W2  1  0.86  0.07  0.2  1.0
  W  W3  1  0.88  0.0  0.24  1.0

data_BeAgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.15
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   99.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgW2
_chemical_formula_sum   'Be1 Ag1 W2'
_cell_volume   60.43
_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  0.45  0.0  0.09  1.0
  Ag  Ag1  1  0.5  0.07  0.73  1.0
  W  W2  1  0.86  0.07  0.2  1.0
  W  W3  1  0.88  0.0  0.24  1.0

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