data_TiBe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   4.02
_cell_length_c   4.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe2Ag
_chemical_formula_sum   'Ti1 Be2 Ag1'
_cell_volume   51.47
_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  Ti3  1  0.55  0.0  0.06  1.0
  Be  Be1  1  0.0  0.01  0.06  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.55  0.01  0.0  1.0

data_TiBe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.02
_cell_length_c   4.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe2Ag
_chemical_formula_sum   'Ti1 Be2 Ag1'
_cell_volume   51.47
_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  0.55  0.0  0.06  1.0
  Be  Be1  1  -0.0  0.01  0.06  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.55  0.01  0.0  1.0

Ti Be Be Ag