data_[K1Sr2Ti1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Ti  1.5400  1.4000  0.8517
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4041]
_cell_length_b [8.9026]
_cell_length_c [6.5573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KSr2TiCl8]
_chemical_formula_sum '[K1 Sr2 Ti1 Cl8]'
_cell_volume [373.8283]
_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
[
  K  K0  1  0.0000  0.5000  0.0000  1.0
  Sr  Sr1  2  0.5000  0.2449  0.5000  1.0
  Ti  Ti2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2135  0.1967  0.1552  1.0
  Cl  Cl4  2  0.2411  0.0000  0.7004  1.0
  Cl  Cl5  2  0.2708  0.5000  0.6366  1.0
]