data_Fe2AgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   129.35
_cell_angle_beta   129.35
_cell_angle_gamma   74.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2AgMo
_chemical_formula_sum   'Fe2 Ag1 Mo1'
_cell_volume   55.07
_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  0.95  0.0  0.81  1.0
  Fe  Fe2  1  0.0  0.95  0.81  1.0
  Ag  Ag0  1  0.0  0.0  0.63  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_Fe2AgMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   127.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2AgMo
_chemical_formula_sum   'Fe4 Ag2 Mo2'
_cell_volume   110.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.16  0.03  0.13  1.0
  Ag  Ag1  2  0.37  0.0  0.37  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0

Fe Fe Ag Mo