data_[La4Fe1H1Cl2]
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
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6235]
_cell_length_b [3.9845]
_cell_length_c [7.8723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6113]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4FeHCl2]
_chemical_formula_sum '[La4 Fe1 H1 Cl2]'
_cell_volume [200.0939]
_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
[
  La  La0  2  0.2433  0.5000  0.2040  1
  La  La1  2  0.2556  0.0000  0.7974  1
  Fe  Fe2  1  0.5000  0.5000  0.0000  1
  H  H3  1  0.0000  0.0000  0.0000  1
  Cl  Cl4  1  0.0000  0.5000  0.5000  1
  Cl  Cl5  1  0.5000  0.0000  0.5000  1
]