data_[Ca2Nd4Mn2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.7229]
_cell_length_b [6.7229]
_cell_length_c [5.7163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [CaNd2MnO5]
_chemical_formula_sum '[Ca2 Nd4 Mn2 O10]'
_cell_volume [258.3600]
_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  0.0000  0.0000  0.0000  1
  Nd  Nd1  4  0.1729  0.3271  0.5000  1
  Mn  Mn2  2  0.0000  0.5000  0.0000  1
  O  O3  8  0.1396  0.6396  0.2385  1
  O  O4  2  0.0000  0.0000  0.5000  1
]