data_FeAgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   144.42
_cell_angle_beta   130.61
_cell_angle_gamma   62.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAgMo2
_chemical_formula_sum   'Fe1 Ag1 Mo2'
_cell_volume   59.49
_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
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.4  1.0
  Mo  Mo2  1  0.57  0.0  0.02  1.0
  Mo  Mo3  1  0.0  0.15  0.38  1.0

data_FeAgMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.3
_cell_length_c   5.14
_cell_angle_alpha   114.7
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAgMo2
_chemical_formula_sum   'Fe1 Ag1 Mo2'
_cell_volume   59.49
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.6  0.6  0.6  1.0
  Mo  Mo2  1  0.55  0.98  0.55  1.0
  Mo  Mo3  1  0.62  0.77  0.77  1.0

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