data_Sr2AgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   5.47
_cell_angle_alpha   110.04
_cell_angle_beta   110.04
_cell_angle_gamma   33.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AgMo
_chemical_formula_sum   'Sr2 Ag1 Mo1'
_cell_volume   118.61
_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  0.16  0.0  0.2  1.0
  Sr  Sr3  1  0.44  0.0  0.63  1.0
  Ag  Ag0  1  0.81  0.0  0.5  1.0
  Mo  Mo1  1  0.26  0.0  0.33  1.0

data_Sr2AgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   5.47
_cell_length_c   6.48
_cell_angle_alpha   110.04
_cell_angle_beta   106.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AgMo
_chemical_formula_sum   'Sr2 Ag1 Mo1'
_cell_volume   118.61
_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  0.2  0.16  1.0
  Sr  Sr1  1  0.0  0.63  0.44  1.0
  Ag  Ag2  1  0.0  0.5  0.81  1.0
  Mo  Mo3  1  0.0  0.33  0.26  1.0

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