data_[Sr1Li2Ca3]
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 [P4/mmm]
_cell_length_a [4.0158]
_cell_length_b [4.0158]
_cell_length_c [13.7511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [SrLi2Ca3]
_chemical_formula_sum '[Sr1 Li2 Ca3]'
_cell_volume [221.7582]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1
  Li  Li1  2  0.5000  0.5000  0.1427  1
  Ca  Ca2  2  0.0000  0.0000  0.2841  1
  Ca  Ca3  1  0.0000  0.0000  0.0000  1
]