data_CaNbNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   5.61
_cell_angle_alpha   112.8
_cell_angle_beta   112.8
_cell_angle_gamma   58.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbNi2
_chemical_formula_sum   'Ca1 Nb1 Ni2'
_cell_volume   76.96
_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
  Nb  Nb1  1  0.46  0.0  0.51  1.0
  Ni  Ni2  1  0.02  0.0  0.02  1.0
  Ni  Ni3  1  0.9  0.0  0.01  1.0

data_CaNbNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.24
_cell_length_c   5.57
_cell_angle_alpha   68.2
_cell_angle_beta   68.21
_cell_angle_gamma   60.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbNi2
_chemical_formula_sum   'Ca1 Nb1 Ni2'
_cell_volume   76.96
_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
  Nb  Nb1  1  0.0  0.95  0.51  1.0
  Ni  Ni2  1  0.0  0.89  0.01  1.0
  Ni  Ni3  1  0.0  1.0  0.02  1.0

Ca Nb Ni Ni