data_[Nd8Er4Mn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  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 [4.0734]
_cell_length_b [17.3641]
_cell_length_c [12.4686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2ErMnSe5]
_chemical_formula_sum '[Nd8 Er4 Mn4 Se20]'
_cell_volume [881.9214]
_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
[
  Nd  Nd0  4  0.0000  0.1174  0.3450  1.0
  Nd  Nd1  4  0.0000  0.1212  0.6945  1.0
  Er  Er2  4  0.0000  0.1820  0.0231  1.0
  Mn  Mn3  4  0.0000  0.4453  0.4259  1.0
  Se  Se4  4  0.0000  0.0169  0.0236  1.0
  Se  Se5  4  0.0000  0.3028  0.6842  1.0
  Se  Se6  4  0.0000  0.3072  0.3594  1.0
  Se  Se7  4  0.0000  0.3450  0.0176  1.0
  Se  Se8  4  0.0000  0.4951  0.7506  1.0
]