data_[Fe1P2Pb1]
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 [Pm]
_cell_length_a [3.7742]
_cell_length_b [3.3812]
_cell_length_c [5.9180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [FeP2Pb]
_chemical_formula_sum '[Fe1 P2 Pb1]'
_cell_volume [73.2158]
_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  0.8528  0.5000  0.1732  1
  P  P1  1  0.2924  0.5000  0.9518  1
  P  P2  1  0.8819  0.0000  0.9309  1
  Pb  Pb3  1  0.4728  0.0000  0.4440  1
]