data_ZrSb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   142.69
_cell_angle_beta   129.24
_cell_angle_gamma   64.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSb2Mo
_chemical_formula_sum   'Zr1 Sb2 Mo1'
_cell_volume   84.2
_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  0.88  1.0
  Sb  Sb1  1  0.0  0.0  0.35  1.0
  Sb  Sb2  1  0.81  0.0  0.46  1.0
  Mo  Mo0  1  0.0  0.43  0.45  1.0

data_ZrSb2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.86
_cell_length_c   5.66
_cell_angle_alpha   115.38
_cell_angle_beta   108.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSb2Mo
_chemical_formula_sum   'Zr1 Sb2 Mo1'
_cell_volume   84.2
_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  0.88  0.88  1.0
  Sb  Sb1  1  0.0  0.35  0.35  1.0
  Sb  Sb2  1  0.0  0.46  0.65  1.0
  Mo  Mo3  1  0.57  0.02  0.02  1.0

Zr Sb Sb Mo