data_MnMoP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   6.62
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnMoP4
_chemical_formula_sum   'Mn2 Mo2 P8'
_cell_volume   200.4
_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
  Mn  Mn0  1  0.97  0.66  0.09  1.0
  Mn  Mn1  1  0.99  0.96  0.36  1.0
  Mo  Mo2  1  0.77  0.58  0.36  1.0
  Mo  Mo3  1  0.75  0.04  0.09  1.0
  P  P4  1  0.73  0.39  0.13  1.0
  P  P5  1  0.8  0.39  0.6  1.0
  P  P6  1  0.78  0.23  0.32  1.0
  P  P7  1  0.71  0.23  0.85  1.0
  P  P8  1  0.65  0.75  0.76  1.0
  P  P9  1  0.84  0.75  0.41  1.0
  P  P10  1  0.86  0.87  0.69  1.0
  P  P11  1  0.68  0.87  0.04  1.0

data_MnMoP4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.45
_cell_length_b   5.55
_cell_length_c   6.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnMoP4
_chemical_formula_sum   'Mn2 Mo2 P8'
_cell_volume   200.4
_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
  Mn  Mn0  1  0.09  0.97  0.66  1.0
  Mn  Mn1  1  0.36  0.99  0.96  1.0
  Mo  Mo2  1  0.09  0.75  0.04  1.0
  Mo  Mo3  1  0.36  0.77  0.58  1.0
  P  P4  1  0.04  0.68  0.87  1.0
  P  P5  1  0.13  0.73  0.39  1.0
  P  P6  1  0.32  0.78  0.23  1.0
  P  P7  1  0.41  0.84  0.75  1.0
  P  P8  1  0.6  0.8  0.39  1.0
  P  P9  1  0.69  0.86  0.87  1.0
  P  P10  1  0.76  0.65  0.75  1.0
  P  P11  1  0.85  0.71  0.23  1.0

Mn Mn Mo Mo P P P P P P P P
Mn Mn Mo Mo P P P P P P P P 0 4 o o o 0 2 o o o 0 11 o o o 0 9 o o o 1 10 o o o 1 9 o o o 1 3 o + o 2 9 o o o 2 4 o o o 2 5 o o o 3 11 o - o 3 6 o o o 3 7 o o - 4 7 o o - 4 6 o o o 5 6 o o o 5 7 o o o 8 10 o o o 8 11 o o + 9 10 o o o 