data_[La4Co1H1I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8179]
_cell_length_b [4.2288]
_cell_length_c [8.3882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4CoHI2]
_chemical_formula_sum '[La4 Co1 H1 I2]'
_cell_volume [233.6998]
_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  0.2472  0.5000  0.1850  1.0
  La  La1  2  0.2571  0.0000  0.8196  1.0
  Co  Co2  1  0.5000  0.5000  0.0000  1.0
  H  H3  1  0.0000  0.0000  0.0000  1.0
  I  I4  1  0.0000  0.5000  0.5000  1.0
  I  I5  1  0.5000  0.0000  0.5000  1.0
]