data_[Sr4Cl5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.6075]
_cell_length_b [7.6075]
_cell_length_c [19.5990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Sr4Cl5]
_chemical_formula_sum '[Sr4 Cl5]'
_cell_volume [982.3066]
_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  3  0.0000  0.6845  0.5324  1
  Sr  Sr1  1  0.0000  0.0000  0.3657  1
  Cl  Cl2  3  0.0000  0.3613  0.4454  1
  Cl  Cl3  2  0.3333  0.6667  0.6003  1
]