data_[Sr4In4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.9922]
_cell_length_b [7.5628]
_cell_length_c [10.4089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrInCl3]
_chemical_formula_sum '[Sr4 In4 Cl12]'
_cell_volume [703.1429]
_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
[
  Sr  Sr0  4  0.0827  0.7402  0.4207  1.0
  In  In1  4  0.4094  0.2343  0.3653  1.0
  Cl  Cl2  4  0.0647  0.5727  0.1667  1.0
  Cl  Cl3  4  0.2041  0.0771  0.0513  1.0
  Cl  Cl4  4  0.3859  0.6564  0.8954  1.0
]