data_[Fe4Co2P16]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4748]
_cell_length_b [6.6377]
_cell_length_c [4.0764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2CoP8]
_chemical_formula_sum '[Fe4 Co2 P16]'
_cell_volume [310.3573]
_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  4  0.2035  0.5000  0.9636  1
  Co  Co1  2  0.0000  0.0000  0.0000  1
  P  P2  8  0.1336  0.2039  0.7933  1
  P  P3  4  0.0971  0.5000  0.4644  1
  P  P4  4  0.1475  0.0000  0.3647  1
]