data_TaMn2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   134.85
_cell_angle_beta   133.14
_cell_angle_gamma   67.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Ni
_chemical_formula_sum   'Ta1 Mn2 Ni1'
_cell_volume   54.27
_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  0.0  0.0  0.95  1.0
  Mn  Mn0  1  0.82  0.0  0.96  1.0
  Mn  Mn1  1  0.0  0.89  1.0  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_TaMn2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.77
_cell_length_c   4.74
_cell_angle_alpha   113.43
_cell_angle_beta   112.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Ni
_chemical_formula_sum   'Ta1 Mn2 Ni1'
_cell_volume   54.27
_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  0.05  0.05  0.05  1.0
  Mn  Mn1  1  0.0  0.89  0.89  1.0
  Mn  Mn2  1  0.86  0.04  0.86  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Ta Mn Mn Ni