data_ZrTaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   4.03
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaNi2
_chemical_formula_sum   'Zr1 Ta1 Ni2'
_cell_volume   62.75
_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
  Zr  Zr3  1  0.53  0.0  0.08  1.0
  Ta  Ta2  1  0.03  0.01  0.98  1.0
  Ni  Ni0  1  0.12  0.01  0.75  1.0
  Ni  Ni1  1  0.61  0.0  0.42  1.0

data_ZrTaNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.03
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaNi2
_chemical_formula_sum   'Zr1 Ta1 Ni2'
_cell_volume   62.75
_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
  Zr  Zr0  1  0.53  0.0  0.08  1.0
  Ta  Ta1  1  0.03  0.01  0.98  1.0
  Ni  Ni2  1  0.12  0.01  0.75  1.0
  Ni  Ni3  1  0.61  0.0  0.42  1.0

Zr Ta Ni Ni