data_[Ce2Ga2Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.0953]
_cell_length_b [4.1466]
_cell_length_c [6.8251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [CeGaCu2]
_chemical_formula_sum '[Ce2 Ga2 Cu4]'
_cell_volume [144.2030]
_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
[
  Ce  Ce0  2  0.2500  0.0000  0.3239  1.0
  Ga  Ga1  2  0.2500  0.5000  0.6735  1.0
  Cu  Cu2  2  0.0000  0.5000  0.0000  1.0
  Cu  Cu3  2  0.2500  0.0000  0.8920  1.0
]