data_[Ca2Ce2Mn2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7269]
_cell_length_b [5.3482]
_cell_length_c [6.8033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaCeMnN4]
_chemical_formula_sum '[Ca2 Ce2 Mn2 N8]'
_cell_volume [200.2629]
_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
[
  Ca  Ca0  2  0.2882  0.2500  0.0752  1
  Ce  Ce1  2  0.2320  0.2500  0.5570  1
  Mn  Mn2  2  0.2285  0.7500  0.3000  1
  N  N3  4  0.0348  0.5003  0.2670  1
  N  N4  2  0.4028  0.7500  0.5502  1
  N  N5  2  0.4306  0.7500  0.1529  1
]