data_Ba2BeAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   43.33
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BeAg
_chemical_formula_sum   'Ba2 Be1 Ag1'
_cell_volume   140.94
_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  0.0  0.0  0.3  1.0
  Ba  Ba2  1  0.27  0.0  0.33  1.0
  Be  Be3  1  0.0  0.0  0.33  1.0
  Ag  Ag0  1  0.27  0.0  0.3  1.0

data_Ba2BeAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.96
_cell_length_c   6.72
_cell_angle_alpha   111.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BeAg
_chemical_formula_sum   'Ba2 Be1 Ag1'
_cell_volume   140.94
_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  0.0  0.3  0.3  1.0
  Ba  Ba1  1  0.73  0.33  0.33  1.0
  Be  Be2  1  0.0  0.33  0.33  1.0
  Ag  Ag3  1  0.73  0.3  0.3  1.0

Ba Ba Be Ag