data_BeCoAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   3.92
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   102.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCoAg2
_chemical_formula_sum   'Be1 Co1 Ag2'
_cell_volume   56.58
_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  0.0  0.0  0.0  1.0
  Co  Co3  1  0.44  0.0  0.62  1.0
  Ag  Ag0  1  0.79  0.96  0.98  1.0
  Ag  Ag1  1  0.85  0.96  0.25  1.0

data_BeCoAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   3.92
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   102.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCoAg2
_chemical_formula_sum   'Be1 Co1 Ag2'
_cell_volume   56.58
_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
  Co  Co1  1  0.44  0.0  0.62  1.0
  Ag  Ag2  1  0.79  0.96  0.98  1.0
  Ag  Ag3  1  0.85  0.96  0.25  1.0

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