data_Ta4Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.93
_cell_length_b   10.93
_cell_length_c   10.93
_cell_angle_alpha   163.46
_cell_angle_beta   163.46
_cell_angle_gamma   23.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta4Ni3
_chemical_formula_sum   'Ta4 Ni3'
_cell_volume   105.7
_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  0.36  1.0
  Ta  Ta4  1  0.0  0.0  0.17  1.0
  Ta  Ta5  1  0.0  0.0  0.22  1.0
  Ta  Ta6  1  0.0  0.0  0.04  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.02  1.0
  Ni  Ni2  1  0.0  0.0  0.37  1.0

data_Ta4Ni3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   101.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta4Ni3
_chemical_formula_sum   'Ta8 Ni6'
_cell_volume   211.39
_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  0.04  0.0  0.04  1.0
  Ta  Ta1  2  0.17  0.0  0.17  1.0
  Ta  Ta2  2  0.22  0.0  0.22  1.0
  Ta  Ta3  2  0.36  0.0  0.36  1.0
  Ni  Ni4  2  0.0  0.0  0.0  1.0
  Ni  Ni5  2  0.02  0.0  0.02  1.0
  Ni  Ni6  2  0.37  0.0  0.37  1.0

Ta Ta Ta Ta Ni Ni Ni