data_[Sr16Li4Ca4]
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 [C2/c]
_cell_length_a [10.7045]
_cell_length_b [16.0587]
_cell_length_c [7.1163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr4LiCa]
_chemical_formula_sum '[Sr16 Li4 Ca4]'
_cell_volume [1153.6013]
_cell_formula_units_Z [4]
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  8  0.1081  0.1795  0.5575  1
  Sr  Sr1  8  0.2140  0.4067  0.8638  1
  Li  Li2  4  0.0000  0.0017  0.2500  1
  Ca  Ca3  4  0.0000  0.3917  0.2500  1
]