data_[Ce4Mg4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.8675]
_cell_length_b [6.5455]
_cell_length_c [8.5343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [CeMgGa]
_chemical_formula_sum '[Ce4 Mg4 Ga4]'
_cell_volume [271.9037]
_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
[
  Ce  Ce0  4  0.0000  0.2855  0.7527  1.0
  Mg  Mg1  2  0.0000  0.0000  0.4311  1.0
  Mg  Mg2  2  0.0000  0.5000  0.0940  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0734  1.0
  Ga  Ga4  2  0.0000  0.5000  0.4104  1.0
]