data_Mo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2P
_chemical_formula_sum   'Mo8 P4'
_cell_volume   190.13
_cell_formula_units_Z   4
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  0.79  0.67  0.96  1.0
  Mo  Mo1  1  0.96  0.08  0.79  1.0
  Mo  Mo2  1  0.67  0.96  0.79  1.0
  Mo  Mo3  1  0.08  0.79  0.96  1.0
  Mo  Mo4  1  0.96  0.79  0.67  1.0
  Mo  Mo5  1  0.79  0.96  0.08  1.0
  Mo  Mo6  1  0.08  0.08  0.08  1.0
  Mo  Mo7  1  0.67  0.67  0.67  1.0
  P  P8  1  0.88  0.0  0.88  1.0
  P  P9  1  0.0  0.88  0.88  1.0
  P  P10  1  0.0  0.0  0.0  1.0
  P  P11  1  0.88  0.88  0.0  1.0

data_Mo2P
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.13
_cell_length_b   8.13
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Mo2P
_chemical_formula_sum   'Mo24 P12'
_cell_volume   570.38
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.01  0.15  0.94  1.0
  Mo  Mo1  9  0.15  0.14  0.81  1.0
  Mo  Mo2  3  0.0  0.0  0.08  1.0
  Mo  Mo3  3  0.0  0.0  0.67  1.0
  P  P4  9  0.08  0.04  0.92  1.0
  P  P5  3  0.0  0.0  0.0  1.0

Mo Mo Mo Mo Mo Mo Mo Mo P P P P