data_Fe2CoSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   2.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoSi
_chemical_formula_sum   'Fe2 Co1 Si1'
_cell_volume   44.43
_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  0.22  0.25  0.3  1.0
  Fe  Fe2  1  0.22  0.75  0.3  1.0
  Co  Co0  1  0.44  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_Fe2CoSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   4.26
_cell_length_c   4.26
_cell_angle_alpha   110.1
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoSi
_chemical_formula_sum   'Fe2 Co1 Si1'
_cell_volume   44.43
_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  0.3  0.22  0.25  1.0
  Fe  Fe1  1  0.3  0.22  0.75  1.0
  Co  Co2  1  -0.0  0.44  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Fe Fe Co Si
Fe Fe Co Si 0 3 o o o 1 2 o + o 