data_BeNbAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   4.78
_cell_angle_alpha   111.2
_cell_angle_beta   111.2
_cell_angle_gamma   29.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNbAg2
_chemical_formula_sum   'Be1 Nb1 Ag2'
_cell_volume   63.78
_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  Be2  1  0.49  0.0  0.11  1.0
  Nb  Nb3  1  0.65  0.0  0.33  1.0
  Ag  Ag0  1  0.59  0.0  0.38  1.0
  Ag  Ag1  1  0.87  0.0  0.27  1.0

data_BeNbAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.78
_cell_length_c   5.39
_cell_angle_alpha   111.2
_cell_angle_beta   104.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNbAg2
_chemical_formula_sum   'Be1 Nb1 Ag2'
_cell_volume   63.78
_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  0.0  0.11  0.49  1.0
  Nb  Nb1  1  0.0  0.33  0.65  1.0
  Ag  Ag2  1  0.0  0.27  0.87  1.0
  Ag  Ag3  1  0.0  0.38  0.59  1.0

Be Nb Ag Ag
Be Nb Ag Ag 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 