data_[Ce2Mn4Fe2]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3343]
_cell_length_b [6.3857]
_cell_length_c [4.3927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeMn2Fe]
_chemical_formula_sum '[Ce2 Mn4 Fe2]'
_cell_volume [117.4639]
_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  0.4401  0.7500  0.8060  1
  Mn  Mn1  4  0.0809  0.5597  0.2350  1
  Fe  Fe2  2  0.3278  0.2500  0.5977  1
]