data_[Fe2P4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.4792]
_cell_length_b [3.3283]
_cell_length_c [6.2089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeP2Pb]
_chemical_formula_sum '[Fe2 P4 Pb2]'
_cell_volume [150.2443]
_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  0.2717  0.5000  0.0843  1
  P  P1  2  0.0702  0.0000  0.0997  1
  P  P2  2  0.2285  0.0000  0.8372  1
  Pb  Pb3  2  0.4297  0.0000  0.4788  1
]