data_[Li2Ca4Al4Ga10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.2349]
_cell_length_b [10.2349]
_cell_length_c [3.8967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [LiCa2Al2Ga5]
_chemical_formula_sum '[Li2 Ca4 Al4 Ga10]'
_cell_volume [408.1900]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1
  Ca  Ca1  4  0.1751  0.3249  0.0000  1
  Al  Al2  4  0.1227  0.6227  0.0000  1
  Ga  Ga3  8  0.0595  0.8003  0.5000  1
  Ga  Ga4  2  0.0000  0.5000  0.5000  1
]