data_[Sr1Sm1I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9771]
_cell_length_b [4.4073]
_cell_length_c [8.2857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrSmI4]
_chemical_formula_sum '[Sr1 Sm1 I4]'
_cell_volume [276.7890]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  1  0.5000  0.5000  0.0000  1.0
  I  I2  2  0.2616  0.0000  0.7591  1.0
  I  I3  2  0.2640  0.5000  0.2447  1.0
]