data_[Li4Ca4Ga4]
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 [14.9119]
_cell_length_b [3.6435]
_cell_length_c [5.1334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCaGa]
_chemical_formula_sum '[Li4 Ca4 Ga4]'
_cell_volume [278.6840]
_cell_formula_units_Z [4]
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  0.2374  0.5000  0.7598  1.0
  Ca  Ca1  4  0.0788  0.5000  0.2591  1.0
  Ga  Ga2  4  0.1046  0.0000  0.7644  1.0
]