data_[Sr2Nd2I2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nd  1.1400  1.8500  1.2765
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4033]
_cell_length_b [4.3685]
_cell_length_c [8.3454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrNdIO2]
_chemical_formula_sum '[Sr2 Nd2 I2 O4]'
_cell_volume [259.5327]
_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
[
  Sr  Sr0  2  0.3495  0.7500  0.0845  1.0
  Nd  Nd1  2  0.3572  0.7500  0.5930  1.0
  I  I2  2  0.0384  0.2500  0.7464  1.0
  O  O3  2  0.4750  0.2500  0.6036  1.0
  O  O4  2  0.4947  0.2500  0.1387  1.0
]