data_MoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   6.16
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoP2
_chemical_formula_sum   'Mo2 P4'
_cell_volume   98.14
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Mo  Mo1  1  0.74  0.08  0.45  1.0
  P  P2  1  0.91  0.79  0.0  1.0
  P  P3  1  0.58  0.37  0.0  1.0
  P  P4  1  0.65  0.45  0.45  1.0
  P  P5  1  0.84  0.71  0.45  1.0

data_MoP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.49
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoP2
_chemical_formula_sum   'Mo2 P4'
_cell_volume   98.14
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Mo  Mo1  1  0.45  0.74  0.08  1.0
  P  P2  1  -0.0  0.91  0.79  1.0
  P  P3  1  -0.0  0.58  0.37  1.0
  P  P4  1  0.45  0.65  0.45  1.0
  P  P5  1  0.45  0.84  0.71  1.0

Mo Mo P P P P