data_[Nd2Mn2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [17.3577]
_cell_length_b [4.2639]
_cell_length_c [20.0528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [NdMnI5]
_chemical_formula_sum '[Nd2 Mn2 I10]'
_cell_volume [1484.1551]
_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
[
  Nd  Nd0  2  0.2500  0.0000  0.5125  1
  Mn  Mn1  2  0.0000  0.5000  0.5000  1
  I  I2  4  0.0653  0.0000  0.5808  1
  I  I3  4  0.1447  0.5000  0.4267  1
  I  I4  2  0.2500  0.5000  0.6260  1
]