data_MoP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   7.37
_cell_length_c   7.37
_cell_angle_alpha   34.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoP5
_chemical_formula_sum   'Mo1 P5'
_cell_volume   103.67
_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  0.69  0.0  0.8  1.0
  P  P1  1  0.0  0.0  0.01  1.0
  P  P2  1  0.69  0.0  0.5  1.0
  P  P3  1  0.0  0.0  0.42  1.0
  P  P4  1  0.69  0.0  0.86  1.0
  P  P5  1  0.0  0.0  0.06  1.0

data_MoP5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.37
_cell_length_c   7.37
_cell_angle_alpha   107.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoP5
_chemical_formula_sum   'Mo1 P5'
_cell_volume   103.67
_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  0.31  0.8  0.8  1.0
  P  P1  1  0.0  0.01  0.01  1.0
  P  P2  1  0.0  0.06  0.06  1.0
  P  P3  1  0.0  0.42  0.42  1.0
  P  P4  1  0.31  0.5  0.5  1.0
  P  P5  1  0.31  0.86  0.86  1.0

Mo P P P P P