data_[Sr4Li2Ca16]
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/m]
_cell_length_a [19.6749]
_cell_length_b [5.6360]
_cell_length_c [8.8603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2LiCa8]
_chemical_formula_sum '[Sr4 Li2 Ca16]'
_cell_volume [937.1170]
_cell_formula_units_Z [2]
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  4  0.2237  0.0000  0.6364  1
  Li  Li1  2  0.0000  0.5000  0.0000  1
  Ca  Ca2  4  0.0424  0.0000  0.7227  1
  Ca  Ca3  4  0.0840  0.5000  0.4329  1
  Ca  Ca4  4  0.1277  0.0000  0.1602  1
  Ca  Ca5  4  0.1761  0.5000  0.9047  1
]