data_[Nd2Zr6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.9848]
_cell_length_b [4.0754]
_cell_length_c [12.5398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd(ZrTe2)3]
_chemical_formula_sum '[Nd2 Zr6 Te12]'
_cell_volume [579.1841]
_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  0.0520  0.7500  0.7020  1.0
  Zr  Zr1  2  0.1201  0.7500  0.0713  1.0
  Zr  Zr2  2  0.3208  0.2500  0.4875  1.0
  Zr  Zr3  2  0.4447  0.7500  0.8678  1.0
  Te  Te4  2  0.1120  0.2500  0.9062  1.0
  Te  Te5  2  0.1283  0.7500  0.4724  1.0
  Te  Te6  2  0.1945  0.2500  0.2462  1.0
  Te  Te7  2  0.2803  0.2500  0.7204  1.0
  Te  Te8  2  0.3755  0.7500  0.0718  1.0
  Te  Te9  2  0.4860  0.7500  0.6236  1.0
]