data_TaMnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   4.35
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnSb2
_chemical_formula_sum   'Ta1 Mn1 Sb2'
_cell_volume   72.96
_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  0.17  0.25  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.87  0.0  0.25  1.0
  Sb  Sb2  1  0.87  0.17  0.0  1.0

data_TaMnSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.35
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnSb2
_chemical_formula_sum   'Ta1 Mn1 Sb2'
_cell_volume   72.96
_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  0.17  0.25  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.87  0.0  0.25  1.0
  Sb  Sb3  1  0.87  0.17  0.0  1.0

Ta Mn Sb Sb
Ta Mn Sb Sb 0 2 - o o 1 3 - o o 