data_CaTaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   137.87
_cell_angle_beta   137.87
_cell_angle_gamma   61.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTaNi2
_chemical_formula_sum   'Ca1 Ta1 Ni2'
_cell_volume   65.01
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.89  0.27  1.0
  Ni  Ni1  1  0.89  0.0  0.27  1.0
  Ni  Ni2  1  0.0  0.0  0.54  1.0

data_CaTaNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   5.27
_cell_angle_alpha   111.07
_cell_angle_beta   111.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTaNi2
_chemical_formula_sum   'Ca1 Ta1 Ni2'
_cell_volume   65.01
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.63  0.89  0.63  1.0
  Ni  Ni2  1  0.46  0.0  0.46  1.0
  Ni  Ni3  1  0.73  0.0  0.63  1.0

Ca Ta Ni Ni