data_[Nd16Ga4Te2]
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 [19.9076]
_cell_length_b [4.9510]
_cell_length_c [7.1637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Ga2Te]
_chemical_formula_sum '[Nd16 Ga4 Te2]'
_cell_volume [691.9341]
_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  4  0.0332  0.0000  0.7591  1.0
  Nd  Nd1  4  0.0967  0.5000  0.4645  1.0
  Nd  Nd2  4  0.1660  0.5000  0.9935  1.0
  Nd  Nd3  4  0.2106  0.0000  0.3334  1.0
  Ga  Ga4  4  0.1872  0.0000  0.7487  1.0
  Te  Te5  2  0.0000  0.5000  0.0000  1.0
]