data_BeAg2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   6.67
_cell_angle_alpha   157.04
_cell_angle_beta   152.72
_cell_angle_gamma   35.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAg2B
_chemical_formula_sum   'Be1 Ag2 B1'
_cell_volume   52.92
_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  Be3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.57  0.09  1.0
  Ag  Ag1  1  0.33  0.0  0.25  1.0
  B  B2  1  0.0  0.0  0.34  1.0

data_BeAg2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   3.14
_cell_length_c   6.67
_cell_angle_alpha   103.64
_cell_angle_beta   101.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAg2B
_chemical_formula_sum   'Be1 Ag2 B1'
_cell_volume   52.92
_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  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.25  0.93  1.0
  Ag  Ag2  1  0.43  0.52  0.52  1.0
  B  B3  1  0.0  0.34  0.34  1.0

Be Ag Ag B