data_[Sr4Li4Ca16]
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 [10.1178]
_cell_length_b [14.8306]
_cell_length_c [6.8983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrLiCa4]
_chemical_formula_sum '[Sr4 Li4 Ca16]'
_cell_volume [982.7973]
_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  4  0.0000  0.4007  0.7500  1.0
  Li  Li1  4  0.0000  0.0012  0.7500  1.0
  Ca  Ca2  8  0.1030  0.1796  0.0497  1.0
  Ca  Ca3  8  0.2236  0.3860  0.3728  1.0
]