data_TiBeAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   2.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBeAg
_chemical_formula_sum   'Ti1 Be1 Ag1'
_cell_volume   43.71
_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
  Ti  Ti2  1  0.0  0.47  0.38  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.14  0.24  0.0  1.0

data_TiBeAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.28
_cell_length_c   4.28
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBeAg
_chemical_formula_sum   'Ti1 Be1 Ag1'
_cell_volume   43.71
_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
  Ti  Ti0  1  0.38  0.0  0.47  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.0  0.14  0.24  1.0

Ti Be Ag
Ti Be Ag 0 2 o o o 1 2 o o o 