data_AlMo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   34.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMo2As
_chemical_formula_sum   'Al1 Mo2 As1'
_cell_volume   64.86
_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  0.66  1.0
  Mo  Mo2  1  0.0  0.0  0.68  1.0
  Mo  Mo3  1  0.3  0.0  0.01  1.0
  As  As1  1  0.3  0.0  0.61  1.0

data_AlMo2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.6
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   107.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMo2As
_chemical_formula_sum   'Al1 Mo2 As1'
_cell_volume   64.86
_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  0.34  0.0  0.34  1.0
  Mo  Mo1  1  0.32  0.0  0.32  1.0
  Mo  Mo2  1  0.99  0.3  0.99  1.0
  As  As3  1  0.39  0.3  0.39  1.0

Al Mo Mo As