data_Na2MoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MoAs
_chemical_formula_sum   'Na2 Mo1 As1'
_cell_volume   76.69
_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
  Na  Na2  1  0.45  0.57  0.85  1.0
  Na  Na3  1  0.45  0.57  0.29  1.0
  Mo  Mo1  1  0.0  0.0  0.57  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Na2MoAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MoAs
_chemical_formula_sum   'Na2 Mo1 As1'
_cell_volume   76.69
_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
  Na  Na0  1  0.45  0.57  0.29  1.0
  Na  Na1  1  0.45  0.57  0.85  1.0
  Mo  Mo2  1  0.0  0.0  0.57  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Na Na Mo As
Na2MoAs crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 12-coordinate geometry to two equivalent Na(1), two equivalent Na(2), four equivalent Mo(1), and four equivalent As(1) atoms. Both Na(1)-Na(1) bond lengths are 2.90 Å. There is one shorter (2.28 Å) and one longer (2.86 Å) Na(1)-Na(2) bond length. There are a spread of Na(1)-Mo(1) bond distances ranging from 2.94-3.63 Å. There are a spread of Na(1)-As(1) bond distances ranging from 2.68-3.43 Å. In the second Na site, Na(2) is bonded in a 11-coordinate geometry to two equivalent Na(1), two equivalent Na(2), four equivalent Mo(1), and three equivalent As(1) atoms. Both Na(2)-Na(2) bond lengths are 2.90 Å. There are a spread of Na(2)-Mo(1) bond distances ranging from 2.94-3.63 Å. There are a spread of Na(2)-As(1) bond distances ranging from 2.98-3.55 Å. Mo(1) is bonded in a 12-coordinate geometry to four equivalent Na(1), four equivalent Na(2), two equivalent Mo(1), and two equivalent As(1) atoms. Both Mo(1)-Mo(1) bond lengths are 2.90 Å. There is one shorter (2.20 Å) and one longer (2.95 Å) Mo(1)-As(1) bond length. As(1) is bonded in a 11-coordinate geometry to three equivalent Na(2), four equivalent Na(1), two equivalent Mo(1), and two equivalent As(1) atoms. Both As(1)-As(1) bond lengths are 2.90 Å.