data_[Li8Ca6Ga4]
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 [10.6421]
_cell_length_b [4.7502]
_cell_length_c [8.9124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Ca3Ga2]
_chemical_formula_sum '[Li8 Ca6 Ga4]'
_cell_volume [430.5273]
_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  4  0.0966  0.0000  0.6620  1.0
  Li  Li1  4  0.2154  0.5000  0.0549  1.0
  Ca  Ca2  4  0.1177  0.5000  0.3738  1.0
  Ca  Ca3  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga4  4  0.2146  0.5000  0.7518  1.0
]