data_TaCrSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   5.6
_cell_angle_alpha   98.8
_cell_angle_beta   98.8
_cell_angle_gamma   40.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrSb2
_chemical_formula_sum   'Ta1 Cr1 Sb2'
_cell_volume   82.42
_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  0.02  0.0  0.76  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.54  0.0  0.42  1.0
  Sb  Sb2  1  0.5  0.0  0.11  1.0

data_TaCrSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.77
_cell_length_c   5.6
_cell_angle_alpha   98.8
_cell_angle_beta   90.0
_cell_angle_gamma   110.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrSb2
_chemical_formula_sum   'Ta1 Cr1 Sb2'
_cell_volume   82.42
_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  0.98  0.24  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.46  0.58  1.0
  Sb  Sb3  1  0.0  0.5  0.89  1.0

Ta Cr Sb Sb
Ta Cr Sb Sb 0 1 o o + 2 3 o o o 