data_ZrTaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   6.26
_cell_angle_alpha   101.97
_cell_angle_beta   101.97
_cell_angle_gamma   42.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaSb2
_chemical_formula_sum   'Zr1 Ta1 Sb2'
_cell_volume   89.42
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.67  0.0  0.05  1.0
  Sb  Sb0  1  0.13  0.0  0.44  1.0
  Sb  Sb1  1  0.2  0.0  0.66  1.0

data_ZrTaSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.67
_cell_length_c   6.26
_cell_angle_alpha   101.97
_cell_angle_beta   90.0
_cell_angle_gamma   111.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaSb2
_chemical_formula_sum   'Zr1 Ta1 Sb2'
_cell_volume   89.42
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.33  0.95  1.0
  Sb  Sb2  1  0.0  0.8  0.34  1.0
  Sb  Sb3  1  0.0  0.87  0.56  1.0

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