data_[Nd6Te2As2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4825]
_cell_length_b [4.3463]
_cell_length_c [10.7040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3TeAsSe]
_chemical_formula_sum '[Nd6 Te2 As2 Se2]'
_cell_volume [384.2289]
_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  0.1046  0.7500  0.8952  1
  Nd  Nd1  2  0.1816  0.2500  0.4472  1
  Nd  Nd2  2  0.4739  0.2500  0.1668  1
  Te  Te3  2  0.1913  0.7500  0.2148  1
  As  As4  2  0.3271  0.2500  0.8946  1
  Se  Se5  2  0.1717  0.7500  0.6238  1
]