data_ZrMoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   143.6
_cell_angle_beta   143.6
_cell_angle_gamma   52.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMoAs
_chemical_formula_sum   'Zr1 Mo1 As1'
_cell_volume   53.69
_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  Zr2  1  0.0  0.0  0.38  1.0
  Mo  Mo1  1  0.0  0.0  0.44  1.0
  As  As0  1  0.0  0.0  0.39  1.0

data_ZrMoAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   116.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrMoAs
_chemical_formula_sum   'Zr2 Mo2 As2'
_cell_volume   107.37
_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  0.38  0.0  0.38  1.0
  Mo  Mo1  2  0.44  0.0  0.44  1.0
  As  As2  2  0.39  0.0  0.39  1.0

Zr Mo As
Zr Mo As 0 2 o o o 0 1 o o o 1 2 o o o 
ZrMoAs crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrMoAs clusters. Zr(1) is bonded in a single-bond geometry to one As(1) atom. The Zr(1)-As(1) bond length is 0.02 Å. Mo(1) is bonded in a single-bond geometry to one As(1) atom. The Mo(1)-As(1) bond length is 0.29 Å. As(1) is bonded in a distorted linear geometry to one Zr(1) and one Mo(1) atom.