data_TaMnZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnZn2
_chemical_formula_sum   'Ta1 Mn1 Zn2'
_cell_volume   59.76
_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  Ta1  1  0.65  0.0  0.0  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.33  0.94  0.36  1.0
  Zn  Zn3  1  0.33  0.06  0.36  1.0

data_TaMnZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   114.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnZn2
_chemical_formula_sum   'Ta1 Mn1 Zn2'
_cell_volume   59.76
_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  0.65  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.36  0.33  0.94  1.0
  Zn  Zn3  1  0.36  0.33  0.06  1.0

Ta Mn Zn Zn
Ta Mn Zn Zn 0 2 o - o 0 3 o o o 0 1 + o o 1 2 o - o 1 3 o o o 2 3 o + o 