data_BeAgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.86
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   100.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgBi2
_chemical_formula_sum   'Be1 Ag1 Bi2'
_cell_volume   96.91
_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  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.93  0.0  0.79  1.0
  Bi  Bi2  1  0.67  0.93  0.73  1.0
  Bi  Bi3  1  0.18  0.93  0.85  1.0

data_BeAgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.86
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   100.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgBi2
_chemical_formula_sum   'Be1 Ag1 Bi2'
_cell_volume   96.91
_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  0.93  0.0  0.79  1.0
  Bi  Bi2  1  0.18  0.93  0.85  1.0
  Bi  Bi3  1  0.67  0.93  0.73  1.0

Be Ag Bi Bi
Be Ag Bi Bi 0 1 - o - 0 3 o - - 1 2 o - o 1 3 + - o 