data_[Fe2Co6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6781]
_cell_length_b [4.0019]
_cell_length_c [4.9091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [FeCo3]
_chemical_formula_sum '[Fe2 Co6]'
_cell_volume [90.5664]
_cell_formula_units_Z [2]
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  2  0.2496  0.5000  0.6278  1.0
  Co  Co1  2  0.0032  0.0000  0.7529  1.0
  Co  Co2  2  0.2539  0.5000  0.1285  1.0
  Co  Co3  1  0.5000  0.0000  0.0000  1.0
  Co  Co4  1  0.5000  0.0000  0.5000  1.0
]