data_[Li10Ca4Ga8]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1587]
_cell_length_b [5.4820]
_cell_length_c [8.2267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.2544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5(CaGa2)2]
_chemical_formula_sum '[Li10 Ca4 Ga8]'
_cell_volume [478.5461]
_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  8  0.0469  0.2505  0.2503  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Ca  Ca2  4  0.2278  0.5000  0.7957  1.0
  Ga  Ga3  4  0.1211  0.5000  0.0564  1.0
  Ga  Ga4  4  0.2267  0.0000  0.5609  1.0
]