data_Fe2SiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   142.4
_cell_angle_beta   130.21
_cell_angle_gamma   64.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SiMo
_chemical_formula_sum   'Fe2 Si1 Mo1'
_cell_volume   49.58
_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  0.53  0.0  0.95  1.0
  Fe  Fe1  1  0.0  0.0  0.09  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.03  1.0

data_Fe2SiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.01
_cell_length_c   4.76
_cell_angle_alpha   114.89
_cell_angle_beta   108.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SiMo
_chemical_formula_sum   'Fe2 Si1 Mo1'
_cell_volume   49.58
_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  0.59  0.05  0.59  1.0
  Fe  Fe1  1  0.91  0.91  0.91  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.97  0.97  0.97  1.0

Fe Fe Si Mo