data_TaNi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   4.05
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   102.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi2Te
_chemical_formula_sum   'Ta1 Ni2 Te1'
_cell_volume   63.78
_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  Ta2  1  0.33  0.03  0.96  1.0
  Ni  Ni0  1  0.98  0.03  0.56  1.0
  Ni  Ni1  1  0.72  0.0  0.27  1.0
  Te  Te3  1  0.97  0.0  0.75  1.0

data_TaNi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.05
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   102.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi2Te
_chemical_formula_sum   'Ta1 Ni2 Te1'
_cell_volume   63.78
_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  0.33  0.03  0.96  1.0
  Ni  Ni1  1  0.72  0.0  0.27  1.0
  Ni  Ni2  1  0.98  0.03  0.56  1.0
  Te  Te3  1  0.97  0.0  0.75  1.0

Ta Ni Ni Te