data_[Nd6Ga2Te8]
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 [Pmmn]
_cell_length_a [6.3067]
_cell_length_b [10.4764]
_cell_length_c [9.5319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Nd3GaTe4]
_chemical_formula_sum '[Nd6 Ga2 Te8]'
_cell_volume [629.7869]
_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  0.0000  0.2465  0.3359  1
  Nd  Nd1  2  0.0000  0.5000  0.8207  1
  Ga  Ga2  2  0.0000  0.0000  0.8374  1
  Te  Te3  4  0.0000  0.2395  0.6628  1
  Te  Te4  2  0.0000  0.0000  0.1578  1
  Te  Te5  2  0.0000  0.5000  0.1549  1
]