data_TaGaTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.64
_cell_angle_alpha   98.64
_cell_angle_beta   98.64
_cell_angle_gamma   40.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGaTe2
_chemical_formula_sum   'Ta1 Ga1 Te2'
_cell_volume   92.35
_cell_formula_units_Z   1
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
  Ta  Ta1  1  0.27  0.0  0.78  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.12  0.0  0.52  1.0
  Te  Te3  1  0.43  0.0  0.04  1.0

data_TaGaTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.04
_cell_length_c   5.64
_cell_angle_alpha   98.64
_cell_angle_beta   90.0
_cell_angle_gamma   110.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGaTe2
_chemical_formula_sum   'Ta1 Ga1 Te2'
_cell_volume   92.35
_cell_formula_units_Z   1
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
  Ta  Ta0  1  0.0  0.73  0.22  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.57  0.96  1.0
  Te  Te3  1  0.0  0.88  0.48  1.0

Ta Ga Te Te