data_[Ce4Mn4Zn2]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.8974]
_cell_length_b [6.8974]
_cell_length_c [4.0792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ce2Mn2Zn]
_chemical_formula_sum '[Ce4 Mn4 Zn2]'
_cell_volume [194.0667]
_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  4  0.1797  0.6797  0.5000  1
  Mn  Mn1  4  0.1282  0.3718  0.0000  1
  Zn  Zn2  2  0.0000  0.0000  0.0000  1
]