data_[Nd2Ga2Te4]
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 [P2_1/m]
_cell_length_a [6.2665]
_cell_length_b [4.4717]
_cell_length_c [8.8227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdGaTe2]
_chemical_formula_sum '[Nd2 Ga2 Te4]'
_cell_volume [231.7352]
_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  0.3684  0.2500  0.2090  1.0
  Ga  Ga1  2  0.2393  0.2500  0.6886  1.0
  Te  Te2  2  0.2041  0.7500  0.9250  1.0
  Te  Te3  2  0.2285  0.7500  0.4282  1.0
]