data_Mo2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.48
_cell_angle_alpha   104.97
_cell_angle_beta   104.97
_cell_angle_gamma   40.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2AsP
_chemical_formula_sum   'Mo2 As1 P1'
_cell_volume   59.64
_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
  Mo  Mo1  1  0.99  0.0  0.26  1.0
  Mo  Mo2  1  0.24  0.0  0.93  1.0
  As  As0  1  0.27  0.0  0.88  1.0
  P  P3  1  0.73  0.0  0.39  1.0

data_Mo2AsP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.48
_cell_length_c   4.64
_cell_angle_alpha   104.97
_cell_angle_beta   110.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2AsP
_chemical_formula_sum   'Mo2 As1 P1'
_cell_volume   59.64
_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
  Mo  Mo0  1  0.0  0.26  0.99  1.0
  Mo  Mo1  1  0.0  0.93  0.24  1.0
  As  As2  1  0.0  0.88  0.27  1.0
  P  P3  1  0.0  0.39  0.73  1.0

Mo Mo As P