data_[La4Mg4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2915]
_cell_length_b [4.4401]
_cell_length_c [11.7085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LaMgGa2]
_chemical_formula_sum '[La4 Mg4 Ga8]'
_cell_volume [379.0623]
_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
[
  La  La0  4  0.1389  0.2500  0.8566  1.0
  Mg  Mg1  4  0.1368  0.2500  0.5572  1.0
  Ga  Ga2  4  0.0309  0.2500  0.3321  1.0
  Ga  Ga3  4  0.1765  0.2500  0.1383  1.0
]