data_Al2MoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   35.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2MoAs
_chemical_formula_sum   'Al2 Mo1 As1'
_cell_volume   66.51
_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
  Al  Al0  1  0.0  0.0  0.09  1.0
  Al  Al1  1  0.09  0.0  0.81  1.0
  Mo  Mo3  1  0.09  0.0  0.14  1.0
  As  As2  1  0.0  0.0  0.73  1.0

data_Al2MoAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.19
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   107.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2MoAs
_chemical_formula_sum   'Al2 Mo1 As1'
_cell_volume   66.51
_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
  Al  Al0  1  0.19  0.09  0.19  1.0
  Al  Al1  1  0.91  0.0  0.91  1.0
  Mo  Mo2  1  0.86  0.09  0.86  1.0
  As  As3  1  0.27  0.0  0.27  1.0

Al Al Mo As