data_[Nd1Mn2Sn1O6]
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
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3962]
_cell_length_b [5.4942]
_cell_length_c [5.8478]
_cell_angle_alpha [62.0494]
_cell_angle_beta [64.2368]
_cell_angle_gamma [61.8501]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NdMn2SnO6]
_chemical_formula_sum '[Nd1 Mn2 Sn1 O6]'
_cell_volume [129.8646]
_cell_formula_units_Z [1]
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  1  0.8011  0.8025  0.6092  1
  Mn  Mn1  1  0.0181  0.0077  0.9654  1
  Mn  Mn2  1  0.5283  0.5295  0.4175  1
  Sn  Sn3  1  0.3199  0.3221  0.0466  1
  O  O4  1  0.1426  0.3507  0.7677  1
  O  O5  1  0.2221  0.9306  0.2262  1
  O  O6  1  0.3724  0.7159  0.7457  1
  O  O7  1  0.5955  0.2279  0.2531  1
  O  O8  1  0.7291  0.1496  0.7695  1
  O  O9  1  0.9326  0.6251  0.2142  1
]