data_NbMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.55
_cell_angle_alpha   103.3
_cell_angle_beta   103.3
_cell_angle_gamma   39.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbMoAs2
_chemical_formula_sum   'Nb1 Mo1 As2'
_cell_volume   65.99
_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
  Nb  Nb3  1  0.49  0.0  0.6  1.0
  Mo  Mo2  1  0.93  0.0  0.9  1.0
  As  As0  1  0.02  0.0  0.13  1.0
  As  As1  1  0.53  0.0  0.38  1.0

data_NbMoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.55
_cell_length_c   4.84
_cell_angle_alpha   103.3
_cell_angle_beta   109.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbMoAs2
_chemical_formula_sum   'Nb1 Mo1 As2'
_cell_volume   65.99
_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
  Nb  Nb0  1  0.0  0.6  0.49  1.0
  Mo  Mo1  1  0.0  0.9  0.93  1.0
  As  As2  1  0.0  0.13  0.02  1.0
  As  As3  1  0.0  0.38  0.53  1.0

Nb Mo As As