data_FeRe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99
_cell_length_b   8.99
_cell_length_c   8.99
_cell_angle_alpha   17.67
_cell_angle_beta   17.67
_cell_angle_gamma   17.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRe2Mo
_chemical_formula_sum   'Fe1 Re2 Mo1'
_cell_volume   58.35
_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  0.3  1.0
  Re  Re2  1  0.0  0.0  0.47  1.0
  Re  Re3  1  0.0  0.0  0.57  1.0
  Mo  Mo1  1  0.0  0.0  0.98  1.0

data_FeRe2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   2.76
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   100.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeRe2Mo
_chemical_formula_sum   'Fe2 Re4 Mo2'
_cell_volume   116.7
_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  2  0.0  0.0  0.7  1.0
  Re  Re1  2  0.0  0.0  0.43  1.0
  Re  Re2  2  0.0  0.0  0.53  1.0
  Mo  Mo3  2  0.0  0.0  0.02  1.0

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