data_TaMn2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   145.71
_cell_angle_beta   130.67
_cell_angle_gamma   61.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Zn
_chemical_formula_sum   'Ta1 Mn2 Zn1'
_cell_volume   54.0
_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  0.48  0.0  0.25  1.0
  Mn  Mn0  1  0.48  0.0  0.1  1.0
  Mn  Mn1  1  0.0  0.0  0.02  1.0
  Zn  Zn3  1  0.0  0.0  0.61  1.0

data_TaMn2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.2
_cell_length_c   5.04
_cell_angle_alpha   114.66
_cell_angle_beta   107.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Zn
_chemical_formula_sum   'Ta1 Mn2 Zn1'
_cell_volume   54.0
_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  0.24  0.75  0.24  1.0
  Mn  Mn1  1  0.38  0.9  0.38  1.0
  Mn  Mn2  1  0.98  0.98  0.98  1.0
  Zn  Zn3  1  0.39  0.39  0.39  1.0

Ta Mn Mn Zn