data_MoAsP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.91
_cell_angle_alpha   93.18
_cell_angle_beta   93.18
_cell_angle_gamma   42.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAsP2
_chemical_formula_sum   'Mo1 As1 P2'
_cell_volume   65.47
_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  0.01  0.0  0.45  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.62  0.0  0.32  1.0
  P  P3  1  0.41  0.0  0.58  1.0

data_MoAsP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.46
_cell_length_c   4.91
_cell_angle_alpha   93.18
_cell_angle_beta   90.0
_cell_angle_gamma   111.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAsP2
_chemical_formula_sum   'Mo1 As1 P2'
_cell_volume   65.47
_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  0.99  0.55  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.38  0.68  1.0
  P  P3  1  0.0  0.59  0.42  1.0

Mo As P P
Mo As P P 0 2 - o o 0 3 o o o 0 1 o o + 0 1 o o o 1 2 - o o 2 3 o o o 