data_[Sr8Nd4Mn4Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2171]
_cell_length_b [18.5136]
_cell_length_c [12.9656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2NdMnSe5]
_chemical_formula_sum '[Sr8 Nd4 Mn4 Se20]'
_cell_volume [1012.2728]
_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  0.0000  0.1162  0.3389  1.0
  Sr  Sr1  4  0.0000  0.1205  0.6875  1.0
  Nd  Nd2  4  0.0000  0.1986  0.0331  1.0
  Mn  Mn3  4  0.0000  0.4449  0.4236  1.0
  Se  Se4  4  0.0000  0.0328  0.0161  1.0
  Se  Se5  4  0.0000  0.3020  0.6868  1.0
  Se  Se6  4  0.0000  0.3191  0.3665  1.0
  Se  Se7  4  0.0000  0.3527  0.0117  1.0
  Se  Se8  4  0.0000  0.4996  0.2598  1.0
]