data_[La4Tc4I4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tc  1.9000  1.3500  0.7417
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5576]
_cell_length_b [7.3466]
_cell_length_c [7.1288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaTcIO4]
_chemical_formula_sum '[La4 Tc4 I4 O16]'
_cell_volume [590.2901]
_cell_formula_units_Z [4]
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  0.2497  0.5000  0.8709  1
  Tc  Tc1  4  0.1295  0.5000  0.2709  1
  I  I2  4  0.0132  0.0000  0.7490  1
  O  O3  8  0.1896  0.3206  0.1365  1
  O  O4  4  0.0263  0.5000  0.7860  1
  O  O5  4  0.2016  0.5000  0.5165  1
]