data_Ta2CuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   4.45
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   94.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CuNi
_chemical_formula_sum   'Ta2 Cu1 Ni1'
_cell_volume   59.12
_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  0.23  0.22  0.59  1.0
  Ta  Ta3  1  0.03  0.0  0.49  1.0
  Cu  Cu0  1  0.82  0.22  0.27  1.0
  Ni  Ni1  1  0.69  0.0  0.81  1.0

data_Ta2CuNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.45
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   94.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CuNi
_chemical_formula_sum   'Ta2 Cu1 Ni1'
_cell_volume   59.12
_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  0.03  0.0  0.49  1.0
  Ta  Ta1  1  0.23  0.22  0.59  1.0
  Cu  Cu2  1  0.82  0.22  0.27  1.0
  Ni  Ni3  1  0.69  0.0  0.81  1.0

Ta Ta Cu Ni