data_[Nd12Ga2Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7893]
_cell_length_b [13.4183]
_cell_length_c [7.7656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6GaTe5]
_chemical_formula_sum '[Nd12 Ga2 Te10]'
_cell_volume [765.3627]
_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  8  0.2351  0.1571  0.2364  1
  Nd  Nd1  4  0.2318  0.0000  0.7595  1
  Ga  Ga2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.0000  0.1735  0.5000  1
  Te  Te4  4  0.0000  0.3349  0.0000  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
]