data_TaMnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   2.62
_cell_angle_alpha   91.27
_cell_angle_beta   91.27
_cell_angle_gamma   111.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnNi2
_chemical_formula_sum   'Ta1 Mn1 Ni2'
_cell_volume   50.21
_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  Ta3  1  0.56  0.0  0.0  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.23  0.88  0.31  1.0
  Ni  Ni2  1  0.23  0.12  0.31  1.0

data_TaMnNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   111.45
_cell_angle_beta   91.27
_cell_angle_gamma   91.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnNi2
_chemical_formula_sum   'Ta1 Mn1 Ni2'
_cell_volume   50.21
_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  0.0  0.56  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.31  0.23  0.12  1.0
  Ni  Ni3  1  0.31  0.23  0.88  1.0

Ta Mn Ni Ni