data_ReAgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   144.28
_cell_angle_beta   129.99
_cell_angle_gamma   62.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAgMo2
_chemical_formula_sum   'Re1 Ag1 Mo2'
_cell_volume   64.53
_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
  Re  Re3  1  0.61  0.0  0.32  1.0
  Ag  Ag0  1  0.0  0.0  0.72  1.0
  Mo  Mo1  1  0.61  0.0  0.16  1.0
  Mo  Mo2  1  0.0  0.0  0.27  1.0

data_ReAgMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.45
_cell_length_c   5.26
_cell_angle_alpha   115.0
_cell_angle_beta   107.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAgMo2
_chemical_formula_sum   'Re1 Ag1 Mo2'
_cell_volume   64.53
_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
  Re  Re0  1  0.29  0.68  0.29  1.0
  Ag  Ag1  1  0.28  0.28  0.28  1.0
  Mo  Mo2  1  0.46  0.84  0.46  1.0
  Mo  Mo3  1  0.73  0.73  0.73  1.0

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