data_[Ce4Mn4Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1268]
_cell_length_b [4.3508]
_cell_length_c [4.4743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeMnCu]
_chemical_formula_sum '[Ce4 Mn4 Cu4]'
_cell_volume [208.5344]
_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  0.1314  0.0000  0.8490  1.0
  Mn  Mn1  4  0.1964  0.0000  0.3608  1.0
  Cu  Cu2  4  0.0795  0.5000  0.2986  1.0
]