data_FeSiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   136.34
_cell_angle_beta   136.34
_cell_angle_gamma   63.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiMo2
_chemical_formula_sum   'Fe1 Si1 Mo2'
_cell_volume   54.22
_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  0.81  0.0  0.07  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.14  1.0
  Mo  Mo2  1  0.0  0.81  0.07  1.0

data_FeSiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   4.87
_cell_angle_alpha   111.83
_cell_angle_beta   111.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiMo2
_chemical_formula_sum   'Fe1 Si1 Mo2'
_cell_volume   54.22
_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  0.93  0.0  0.74  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.74  0.81  0.74  1.0
  Mo  Mo3  1  0.86  0.0  0.86  1.0

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