data_[Sr3Li6Ca3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2583]
_cell_length_b [7.2583]
_cell_length_c [19.6414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [SrLi2CaBr6]
_chemical_formula_sum '[Sr3 Li6 Ca3 Br18]'
_cell_volume [896.1384]
_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  0.8127  1
  Li  Li1  3  0.0000  0.0000  0.0133  1
  Li  Li2  3  0.0000  0.0000  0.5167  1
  Ca  Ca3  3  0.0000  0.0000  0.3174  1
  Br  Br4  9  0.0293  0.3382  0.5848  1
  Br  Br5  9  0.0525  0.7099  0.0823  1
]