data_[Ba4Gd2Ga2Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Gd  1.2000  1.8000  1.0750
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.8869]
_cell_length_b [9.3856]
_cell_length_c [10.2143]
_cell_angle_alpha [103.4643]
_cell_angle_beta [103.1618]
_cell_angle_gamma [107.3767]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2GdGaTe5]
_chemical_formula_sum '[Ba4 Gd2 Ga2 Te10]'
_cell_volume [664.7970]
_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
[
  Ba  Ba0  2  0.3550  0.5144  0.7115  1.0
  Ba  Ba1  2  0.3615  0.0191  0.7082  1.0
  Gd  Gd2  2  0.0013  0.2667  0.0013  1.0
  Ga  Ga3  2  0.1918  0.1265  0.3119  1.0
  Te  Te4  2  0.0128  0.3257  0.3198  1.0
  Te  Te5  2  0.0128  0.8397  0.3171  1.0
  Te  Te6  2  0.2923  0.0907  0.0700  1.0
  Te  Te7  2  0.3023  0.5918  0.0573  1.0
  Te  Te8  2  0.4838  0.7410  0.4909  1.0
]