data_[Nd6Te2As2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8491]
_cell_length_b [4.2809]
_cell_length_c [9.6754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3TeAsCl]
_chemical_formula_sum '[Nd6 Te2 As2 Cl2]'
_cell_volume [362.2936]
_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  0.1209  0.7500  0.8652  1
  Nd  Nd1  2  0.3114  0.2500  0.5336  1
  Nd  Nd2  2  0.4170  0.2500  0.1508  1
  Te  Te3  2  0.1604  0.7500  0.2087  1
  As  As4  2  0.3503  0.2500  0.8449  1
  Cl  Cl5  2  0.1162  0.7500  0.5744  1
]