data_[Fe1Si1P1C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8804]
_cell_length_b [2.9838]
_cell_length_c [6.9546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [FeSiPC2]
_chemical_formula_sum '[Fe1 Si1 P1 C2]'
_cell_volume [59.7705]
_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  0.5000  0.0000  0.9864  1
  Si  Si1  1  0.0000  0.0000  0.2534  1
  P  P2  1  0.0000  0.5000  0.8500  1
  C  C3  1  0.0000  0.5000  0.4209  1
  C  C4  1  0.0000  0.5000  0.6054  1
]