data_[Sr2Li2Ca4]
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 [Imm2]
_cell_length_a [4.2814]
_cell_length_b [6.2184]
_cell_length_c [12.2042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [SrLiCa2]
_chemical_formula_sum '[Sr2 Li2 Ca4]'
_cell_volume [324.9194]
_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  2  0.0000  0.0000  0.2248  1.0
  Li  Li1  2  0.0000  0.5000  0.4919  1.0
  Ca  Ca2  2  0.0000  0.0000  0.7787  1.0
  Ca  Ca3  2  0.0000  0.5000  0.0046  1.0
]