data_ZrCdMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.45
_cell_length_b   10.45
_cell_length_c   10.45
_cell_angle_alpha   15.84
_cell_angle_beta   15.84
_cell_angle_gamma   15.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdMo2
_chemical_formula_sum   'Zr1 Cd1 Mo2'
_cell_volume   74.1
_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
  Cd  Cd0  1  0.0  0.0  0.48  1.0
  Mo  Mo1  1  0.0  0.0  0.27  1.0
  Mo  Mo2  1  0.0  0.0  0.68  1.0

data_ZrCdMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   2.88
_cell_length_c   10.45
_cell_angle_alpha   90.0
_cell_angle_beta   99.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrCdMo2
_chemical_formula_sum   'Zr2 Cd2 Mo4'
_cell_volume   148.2
_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  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.52  1.0
  Mo  Mo2  2  0.0  0.0  0.32  1.0
  Mo  Mo3  2  0.0  0.0  0.73  1.0

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