data_ZrSbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSbMo2
_chemical_formula_sum   'Zr1 Sb1 Mo2'
_cell_volume   75.24
_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  0.81  1.0
  Sb  Sb2  1  0.73  0.73  0.05  1.0
  Mo  Mo0  1  0.73  0.73  0.1  1.0
  Mo  Mo1  1  0.0  0.0  0.49  1.0

data_ZrSbMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrSbMo2
_chemical_formula_sum   'Zr2 Sb2 Mo4'
_cell_volume   150.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.81  1.0
  Sb  Sb1  2  0.23  0.5  0.05  1.0
  Mo  Mo2  2  0.0  0.0  0.49  1.0
  Mo  Mo3  2  0.23  0.5  0.1  1.0

Zr Sb Mo Mo
Zr Sb Mo Mo 0 2 - - + 0 1 - - + 0 3 o o o 1 2 o o o 