data_BaBe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.97
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   103.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBe2Ag
_chemical_formula_sum   'Ba1 Be2 Ag1'
_cell_volume   89.17
_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
  Ba  Ba1  1  0.82  0.98  0.68  1.0
  Be  Be2  1  0.21  0.0  0.73  1.0
  Be  Be3  1  0.05  0.98  0.45  1.0
  Ag  Ag0  1  0.32  0.0  0.01  1.0

data_BaBe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.97
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   103.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBe2Ag
_chemical_formula_sum   'Ba1 Be2 Ag1'
_cell_volume   89.17
_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
  Ba  Ba0  1  0.82  0.98  0.68  1.0
  Be  Be1  1  0.05  0.98  0.45  1.0
  Be  Be2  1  0.21  0.0  0.73  1.0
  Ag  Ag3  1  0.32  0.0  0.01  1.0

Ba Be Be Ag