data_[Ce4Mg4Mn4]
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
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5433]
_cell_length_b [6.3766]
_cell_length_c [5.9438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CeMgMn]
_chemical_formula_sum '[Ce4 Mg4 Mn4]'
_cell_volume [243.8288]
_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  0.2351  0.6037  0.4584  1
  Mg  Mg1  4  0.2224  0.0992  0.4583  1
  Mn  Mn2  4  0.4580  0.7493  0.7289  1
]