data_SrAg2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.58
_cell_angle_alpha   100.43
_cell_angle_beta   100.43
_cell_angle_gamma   31.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAg2Mo
_chemical_formula_sum   'Sr1 Ag2 Mo1'
_cell_volume   84.66
_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  0.59  0.0  0.24  1.0
  Ag  Ag0  1  0.31  0.0  0.47  1.0
  Ag  Ag1  1  0.94  0.0  0.94  1.0
  Mo  Mo2  1  0.81  0.0  0.06  1.0

data_SrAg2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.46
_cell_length_c   5.58
_cell_angle_alpha   100.43
_cell_angle_beta   90.0
_cell_angle_gamma   105.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAg2Mo
_chemical_formula_sum   'Sr1 Ag2 Mo1'
_cell_volume   84.66
_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  0.41  0.76  1.0
  Ag  Ag1  1  0.0  0.06  0.06  1.0
  Ag  Ag2  1  0.0  0.69  0.53  1.0
  Mo  Mo3  1  0.0  0.19  0.94  1.0

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