data_CaMo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   5.15
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   91.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMo2As
_chemical_formula_sum   'Ca1 Mo2 As1'
_cell_volume   74.03
_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  Ca1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.04  0.58  0.77  1.0
  Mo  Mo3  1  0.68  0.58  0.3  1.0
  As  As0  1  0.36  0.0  0.53  1.0

data_CaMo2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   5.07
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMo2As
_chemical_formula_sum   'Ca1 Mo2 As1'
_cell_volume   74.03
_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
  Mo  Mo1  1  0.32  0.7  0.42  1.0
  Mo  Mo2  1  0.96  0.23  0.42  1.0
  As  As3  1  0.64  0.47  0.0  1.0

Ca Mo Mo As
CaMo2As crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one Mo(2), two equivalent Mo(1), and three equivalent As(1) atoms. The Ca(1)-Mo(2) bond length is 2.83 Å. There is one shorter (2.48 Å) and one longer (3.19 Å) Ca(1)-Mo(1) bond length. There are a spread of Ca(1)-As(1) bond distances ranging from 2.59-2.95 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 1-coordinate geometry to two equivalent Ca(1) atoms. In the second Mo site, Mo(2) is bonded in a 1-coordinate geometry to one Ca(1) atom. As(1) is bonded in a 2-coordinate geometry to three equivalent Ca(1) atoms.