data_CaZn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Mo
_chemical_formula_sum   'Ca1 Zn2 Mo1'
_cell_volume   70.47
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.43  0.0  0.49  1.0
  Zn  Zn3  1  0.0  0.43  0.49  1.0
  Mo  Mo1  1  0.43  0.43  0.0  1.0

data_CaZn2Mo
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   2.98
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   CaZn2Mo
_chemical_formula_sum   'Ca2 Zn4 Mo2'
_cell_volume   140.93
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Zn  Zn1  4  0.5  0.22  0.22  1.0
  Mo  Mo2  2  0.0  0.0  0.43  1.0

Ca Zn Zn Mo
CaMoZn2 crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 4-coordinate geometry to eight equivalent Zn(1) atoms. There are a spread of Ca(1)-Zn(1) bond distances ranging from 2.56-3.15 Å. Mo(1) is bonded in a 4-coordinate geometry to eight equivalent Zn(1) atoms. There are a spread of Mo(1)-Zn(1) bond distances ranging from 2.56-3.15 Å. Zn(1) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Mo(1) atoms.