data_FeCo2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   147.11
_cell_angle_beta   129.11
_cell_angle_gamma   61.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2B
_chemical_formula_sum   'Fe1 Co2 B1'
_cell_volume   36.35
_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  Fe3  1  0.0  0.0  0.8  1.0
  Co  Co1  1  0.25  0.0  0.61  1.0
  Co  Co2  1  0.0  0.9  0.19  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_FeCo2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.51
_cell_length_b   3.81
_cell_length_c   4.43
_cell_angle_alpha   115.45
_cell_angle_beta   106.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2B
_chemical_formula_sum   'Fe1 Co2 B1'
_cell_volume   36.35
_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  0.2  0.2  0.2  1.0
  Co  Co1  1  0.64  0.39  0.64  1.0
  Co  Co2  1  0.81  0.72  0.72  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Fe Co Co B