data_[Ca4Eu4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Eu  1.2000  1.8500  1.1985
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.5606]
_cell_length_b [10.7291]
_cell_length_c [10.7136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CaEuI4]
_chemical_formula_sum '[Ca4 Eu4 I16]'
_cell_volume [1098.9601]
_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
[
  Ca  Ca0  4  0.0000  0.2500  0.2595  1.0
  Eu  Eu1  4  0.2500  0.2500  0.7500  1.0
  I  I2  8  0.0000  0.0460  0.7363  1.0
  I  I3  8  0.2409  0.2500  0.0570  1.0
]