data_[Ce4Mn2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9368]
_cell_length_b [5.6999]
_cell_length_c [5.8070]
_cell_angle_alpha [63.2260]
_cell_angle_beta [66.1665]
_cell_angle_gamma [83.5077]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce2Mn]
_chemical_formula_sum '[Ce4 Mn2]'
_cell_volume [132.9695]
_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  0.1348  0.4730  0.1748  1.0
  Ce  Ce1  2  0.4611  0.1387  0.6996  1.0
  Mn  Mn2  2  0.0292  0.0269  0.7430  1.0
]