data_FeSi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   145.29
_cell_angle_beta   143.42
_cell_angle_gamma   51.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Mo
_chemical_formula_sum   'Fe1 Si2 Mo1'
_cell_volume   54.28
_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  0.61  1.0
  Si  Si2  1  0.0  0.0  0.21  1.0
  Si  Si3  1  0.62  0.0  0.89  1.0
  Mo  Mo1  1  0.0  0.71  0.1  1.0

data_FeSi2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.41
_cell_length_c   5.44
_cell_angle_alpha   108.29
_cell_angle_beta   107.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Mo
_chemical_formula_sum   'Fe1 Si2 Mo1'
_cell_volume   54.28
_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  0.61  0.61  1.0
  Si  Si1  1  0.0  0.21  0.21  1.0
  Si  Si2  1  0.0  0.89  0.26  1.0
  Mo  Mo3  1  0.29  0.4  0.4  1.0

Fe Si Si Mo