data_[Sr4Nd4Mn8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [Cm]
_cell_length_a [7.8990]
_cell_length_b [16.2061]
_cell_length_c [5.4898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.9960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrNdMn2O5]
_chemical_formula_sum '[Sr4 Nd4 Mn8 O20]'
_cell_volume [505.5544]
_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
[
  Sr  Sr0  4  0.2351  0.1377  0.4892  1.0
  Nd  Nd1  4  0.2752  0.3574  0.5199  1.0
  Mn  Mn2  4  0.2509  0.2500  0.9993  1.0
  Mn  Mn3  2  0.1935  0.5000  0.9877  1.0
  Mn  Mn4  2  0.3129  0.0000  0.1084  1.0
  O  O5  4  0.0001  0.2609  0.4971  1.0
  O  O6  4  0.0044  0.2579  0.0062  1.0
  O  O7  4  0.1790  0.1161  0.9117  1.0
  O  O8  4  0.2859  0.3808  0.0395  1.0
  O  O9  2  0.1765  0.5000  0.3685  1.0
  O  O10  2  0.3560  0.0000  0.5252  1.0
]