data_[Sr9Li24Ca3]
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
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.4952]
_cell_length_b [6.4952]
_cell_length_c [30.8678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr3Li8Ca]
_chemical_formula_sum '[Sr9 Li24 Ca3]'
_cell_volume [1127.7777]
_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  0.0021  1.0
  Sr  Sr1  3  0.0000  0.0000  0.4974  1.0
  Sr  Sr2  3  0.0000  0.0000  0.6250  1.0
  Li  Li3  9  0.1676  0.3352  0.8944  1.0
  Li  Li4  9  0.1678  0.3356  0.3973  1.0
  Li  Li5  3  0.0000  0.0000  0.3132  1.0
  Li  Li6  3  0.0000  0.0000  0.8113  1.0
  Ca  Ca7  3  0.0000  0.0000  0.1258  1.0
]