data_SrBe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   127.16
_cell_angle_beta   110.99
_cell_angle_gamma   92.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBe2Ag
_chemical_formula_sum   'Sr1 Be2 Ag1'
_cell_volume   82.1
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.18  0.0  0.29  1.0
  Be  Be2  1  0.0  0.77  0.11  1.0
  Ag  Ag0  1  0.0  0.0  0.4  1.0

data_SrBe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   69.01
_cell_angle_beta   63.58
_cell_angle_gamma   63.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBe2Ag
_chemical_formula_sum   'Sr1 Be2 Ag1'
_cell_volume   82.1
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  -0.0  0.82  0.29  1.0
  Be  Be2  1  0.77  -0.0  0.33  1.0
  Ag  Ag3  1  -0.0  -0.0  0.4  1.0

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