data_Sr2AgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   4.34
_cell_angle_alpha   90.4
_cell_angle_beta   90.4
_cell_angle_gamma   50.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AgB
_chemical_formula_sum   'Sr2 Ag1 B1'
_cell_volume   108.29
_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  Sr2  1  0.19  0.0  0.82  1.0
  Sr  Sr3  1  0.39  0.0  0.66  1.0
  Ag  Ag0  1  0.13  0.0  0.61  1.0
  B  B1  1  0.56  0.0  0.77  1.0

data_Sr2AgB
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.87
_cell_length_c   5.67
_cell_angle_alpha   115.45
_cell_angle_beta   90.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AgB
_chemical_formula_sum   'Sr2 Ag1 B1'
_cell_volume   108.29
_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  0.18  0.0  0.81  1.0
  Sr  Sr1  1  0.34  0.0  0.61  1.0
  Ag  Ag2  1  0.39  0.0  0.87  1.0
  B  B3  1  0.23  0.0  0.44  1.0

Sr Sr Ag B
Sr Sr Ag B 0 2 o o o 1 3 o o o 