data_[Sr1P1H6C1I3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.5456]
_cell_length_b [6.5881]
_cell_length_c [6.6041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SrPH6CI3]
_chemical_formula_sum '[Sr1 P1 H6 C1 I3]'
_cell_volume [284.1212]
_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  0.4921  0.0000  0.5056  1
  P  P1  1  0.0988  0.5000  0.9001  1
  H  H2  2  0.2257  0.3263  0.9242  1
  H  H3  2  0.8130  0.3632  0.0623  1
  H  H4  1  0.0062  0.5000  0.7018  1
  H  H5  1  0.9856  0.5000  0.2358  1
  C  C6  1  0.9082  0.5000  0.0830  1
  I  I7  1  0.4725  0.5000  0.5108  1
  I  I8  1  0.4986  0.0000  0.0084  1
  I  I9  1  0.9919  0.0000  0.5343  1
]