data_Sr2MnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   41.46
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MnAg
_chemical_formula_sum   'Sr2 Mn1 Ag1'
_cell_volume   129.78
_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  0.32  0.0  0.88  1.0
  Sr  Sr3  1  0.0  0.0  0.4  1.0
  Mn  Mn1  1  0.0  0.0  0.76  1.0
  Ag  Ag0  1  0.32  0.0  0.3  1.0

data_Sr2MnAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.6
_cell_length_b   4.65
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   110.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MnAg
_chemical_formula_sum   'Sr2 Mn1 Ag1'
_cell_volume   129.78
_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  0.12  0.32  0.12  1.0
  Sr  Sr1  1  0.6  0.0  0.6  1.0
  Mn  Mn2  1  0.24  0.0  0.24  1.0
  Ag  Ag3  1  0.7  0.32  0.7  1.0

Sr Sr Mn Ag
Sr Sr Mn Ag 0 2 o o o 1 3 o o o 