data_[Nd2Zn1Co1S2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.8913]
_cell_length_b [3.8913]
_cell_length_c [10.7807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Nd2ZnCo(SO)2]
_chemical_formula_sum '[Nd2 Zn1 Co1 S2 O2]'
_cell_volume [141.3759]
_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  0.3333  0.6667  0.7580  1
  Nd  Nd1  1  0.6667  0.3333  0.1988  1
  Zn  Zn2  1  0.0000  0.0000  0.4894  1
  Co  Co3  1  0.0000  0.0000  0.9852  1
  S  S4  1  0.3333  0.6667  0.4147  1
  S  S5  1  0.6667  0.3333  0.9260  1
  O  O6  1  0.0000  0.0000  0.1816  1
  O  O7  1  0.0000  0.0000  0.6711  1
]