data_TaCrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.13
_cell_length_c   2.65
_cell_angle_alpha   79.52
_cell_angle_beta   75.72
_cell_angle_gamma   24.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrNi
_chemical_formula_sum   'Ta1 Cr1 Ni1'
_cell_volume   40.68
_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  0.72  0.01  0.89  1.0
  Cr  Cr0  1  0.72  0.01  0.14  1.0
  Ni  Ni1  1  0.72  0.01  0.72  1.0

data_TaCrNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.43
_cell_length_b   11.76
_cell_length_c   2.65
_cell_angle_alpha   90.0
_cell_angle_beta   130.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCrNi
_chemical_formula_sum   'Ta2 Cr2 Ni2'
_cell_volume   81.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.22  0.5  0.61  1.0
  Cr  Cr1  2  0.22  0.5  0.86  1.0
  Ni  Ni2  2  0.22  0.5  0.44  1.0

Ta Cr Ni