data_[Nd2Mg2Cu2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6655]
_cell_length_b [4.2401]
_cell_length_c [9.4195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdMgCuTe3]
_chemical_formula_sum '[Nd2 Mg2 Cu2 Te6]'
_cell_volume [339.3406]
_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  0.1736  0.2500  0.2525  1.0
  Mg  Mg1  2  0.3442  0.7500  0.8438  1.0
  Cu  Cu2  2  0.0652  0.2500  0.5707  1.0
  Te  Te3  2  0.1007  0.2500  0.8624  1.0
  Te  Te4  2  0.2455  0.7500  0.5219  1.0
  Te  Te5  2  0.4151  0.7500  0.1564  1.0
]