data_MoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   7.52
_cell_angle_alpha   117.18
_cell_angle_beta   117.18
_cell_angle_gamma   40.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoP2
_chemical_formula_sum   'Mo2 P4'
_cell_volume   88.67
_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  0.02  0.0  0.64  1.0
  Mo  Mo1  1  0.84  0.0  0.93  1.0
  P  P2  1  0.4  0.0  0.64  1.0
  P  P3  1  0.5  0.0  0.4  1.0
  P  P4  1  0.35  0.0  0.17  1.0
  P  P5  1  0.46  0.0  0.92  1.0

data_MoP2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.17
_cell_length_b   4.55
_cell_length_c   6.78
_cell_angle_alpha   80.56
_cell_angle_beta   76.48
_cell_angle_gamma   69.6
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MoP2
_chemical_formula_sum   'Mo2 P4'
_cell_volume   88.67
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.24  0.35  1.0
  P  P1  2  0.0  0.04  0.89  1.0
  P  P2  2  0.0  0.39  0.64  1.0

Mo Mo P P P P