data_[Sr45La6Cl108]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9957]
_cell_length_b [4.9957]
_cell_length_c [209.1430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr15La2Cl36]
_chemical_formula_sum '[Sr45 La6 Cl108]'
_cell_volume [4520.3635]
_cell_formula_units_Z [3]
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  0.0000  0.1175  1
  Sr  Sr1  3  0.0000  0.0000  0.1763  1
  Sr  Sr2  3  0.0000  0.0000  0.2351  1
  Sr  Sr3  3  0.0000  0.0000  0.2940  1
  Sr  Sr4  3  0.0000  0.0000  0.4117  1
  Sr  Sr5  3  0.0000  0.0000  0.4705  1
  Sr  Sr6  3  0.0000  0.0000  0.5293  1
  Sr  Sr7  3  0.0000  0.0000  0.5881  1
  Sr  Sr8  3  0.0000  0.0000  0.6467  1
  Sr  Sr9  3  0.0000  0.0000  0.7055  1
  Sr  Sr10  3  0.0000  0.0000  0.7645  1
  Sr  Sr11  3  0.0000  0.0000  0.8234  1
  Sr  Sr12  3  0.0000  0.0000  0.8822  1
  Sr  Sr13  3  0.0000  0.0000  0.9410  1
  Sr  Sr14  3  0.0000  0.0000  0.9994  1
  La  La15  3  0.0000  0.0000  0.0572  1
  La  La16  3  0.0000  0.0000  0.3513  1
  Cl  Cl17  3  0.0000  0.0000  0.0166  1
  Cl  Cl18  3  0.0000  0.0000  0.0431  1
  Cl  Cl19  3  0.0000  0.0000  0.0728  1
  Cl  Cl20  3  0.0000  0.0000  0.1027  1
  Cl  Cl21  3  0.0000  0.0000  0.1321  1
  Cl  Cl22  3  0.0000  0.0000  0.1616  1
  Cl  Cl23  3  0.0000  0.0000  0.1909  1
  Cl  Cl24  3  0.0000  0.0000  0.2204  1
  Cl  Cl25  3  0.0000  0.0000  0.2498  1
  Cl  Cl26  3  0.0000  0.0000  0.2792  1
  Cl  Cl27  3  0.0000  0.0000  0.3085  1
  Cl  Cl28  3  0.0000  0.0000  0.3371  1
  Cl  Cl29  3  0.0000  0.0000  0.3663  1
  Cl  Cl30  3  0.0000  0.0000  0.3832  1
  Cl  Cl31  3  0.0000  0.0000  0.3977  1
  Cl  Cl32  3  0.0000  0.0000  0.4263  1
  Cl  Cl33  3  0.0000  0.0000  0.4557  1
  Cl  Cl34  3  0.0000  0.0000  0.4851  1
  Cl  Cl35  3  0.0000  0.0000  0.5145  1
  Cl  Cl36  3  0.0000  0.0000  0.5439  1
  Cl  Cl37  3  0.0000  0.0000  0.5733  1
  Cl  Cl38  3  0.0000  0.0000  0.6027  1
  Cl  Cl39  3  0.0000  0.0000  0.6320  1
  Cl  Cl40  3  0.0000  0.0000  0.6609  1
  Cl  Cl41  3  0.0000  0.0000  0.6773  1
  Cl  Cl42  3  0.0000  0.0000  0.6918  1
  Cl  Cl43  3  0.0000  0.0000  0.7225  1
  Cl  Cl44  3  0.0000  0.0000  0.7498  1
  Cl  Cl45  3  0.0000  0.0000  0.7792  1
  Cl  Cl46  3  0.0000  0.0000  0.8086  1
  Cl  Cl47  3  0.0000  0.0000  0.8380  1
  Cl  Cl48  3  0.0000  0.0000  0.8674  1
  Cl  Cl49  3  0.0000  0.0000  0.8968  1
  Cl  Cl50  3  0.0000  0.0000  0.9263  1
  Cl  Cl51  3  0.0000  0.0000  0.9556  1
  Cl  Cl52  3  0.0000  0.0000  0.9849  1
]