data_BeNb2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   4.83
_cell_angle_alpha   114.77
_cell_angle_beta   114.77
_cell_angle_gamma   29.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Ag
_chemical_formula_sum   'Be1 Nb2 Ag1'
_cell_volume   62.92
_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  Be1  1  0.95  0.0  0.29  1.0
  Nb  Nb2  1  0.17  0.0  0.18  1.0
  Nb  Nb3  1  0.4  0.0  0.11  1.0
  Ag  Ag0  1  0.57  0.0  0.3  1.0

data_BeNb2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.83
_cell_length_c   5.44
_cell_angle_alpha   114.77
_cell_angle_beta   104.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Ag
_chemical_formula_sum   'Be1 Nb2 Ag1'
_cell_volume   62.92
_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  0.29  0.95  1.0
  Nb  Nb1  1  0.0  0.11  0.4  1.0
  Nb  Nb2  1  0.0  0.18  0.17  1.0
  Ag  Ag3  1  0.0  0.3  0.57  1.0

Be Nb Nb Ag