data_[La6Fe8P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9760]
_cell_length_b [4.0001]
_cell_length_c [23.6592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3(FeP)4]
_chemical_formula_sum '[La6 Fe8 P8]'
_cell_volume [376.2823]
_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
[
  La  La0  4  0.0000  0.5000  0.3515  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  4  0.0000  0.0000  0.2493  1
  Fe  Fe3  4  0.0000  0.5000  0.0997  1
  P  P4  4  0.0000  0.0000  0.4448  1
  P  P5  4  0.0000  0.5000  0.2018  1
]