data_Mn3B5P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   82.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3B5P
_chemical_formula_sum   'Mn6 B10 P2'
_cell_volume   142.55
_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  Mn10  1  0.82  0.61  0.36  1.0
  Mn  Mn11  1  0.67  0.61  0.36  1.0
  Mn  Mn12  1  0.25  0.34  0.36  1.0
  Mn  Mn13  1  0.67  0.39  0.12  1.0
  Mn  Mn14  1  0.82  0.39  0.12  1.0
  Mn  Mn15  1  0.25  0.66  0.12  1.0
  B  B0  1  0.53  0.2  0.36  1.0
  B  B1  1  0.97  0.2  0.36  1.0
  B  B2  1  0.25  0.25  0.36  1.0
  B  B3  1  0.97  0.8  0.12  1.0
  B  B4  1  0.53  0.8  0.12  1.0
  B  B5  1  0.25  0.75  0.12  1.0
  B  B6  1  0.86  0.0  0.0  1.0
  B  B7  1  0.63  0.0  0.24  1.0
  B  B8  1  0.63  0.0  0.0  1.0
  B  B9  1  0.86  0.0  0.24  1.0
  P  P16  1  0.0  0.0  0.0  1.0
  P  P17  1  0.0  0.0  0.24  1.0

data_Mn3B5P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   97.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3B5P
_chemical_formula_sum   'Mn6 B10 P2'
_cell_volume   142.55
_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  0.64  0.25  0.66  1.0
  Mn  Mn1  1  0.64  0.67  0.39  1.0
  Mn  Mn2  1  0.64  0.82  0.39  1.0
  Mn  Mn3  1  0.88  0.25  0.34  1.0
  Mn  Mn4  1  0.88  0.67  0.61  1.0
  Mn  Mn5  1  0.88  0.82  0.61  1.0
  B  B6  1  0.0  0.63  0.0  1.0
  B  B7  1  0.0  0.86  0.0  1.0
  B  B8  1  0.64  0.25  0.75  1.0
  B  B9  1  0.64  0.53  0.8  1.0
  B  B10  1  0.64  0.97  0.8  1.0
  B  B11  1  0.76  0.63  0.0  1.0
  B  B12  1  0.76  0.86  0.0  1.0
  B  B13  1  0.88  0.25  0.25  1.0
  B  B14  1  0.88  0.53  0.2  1.0
  B  B15  1  0.88  0.97  0.2  1.0
  P  P16  1  0.0  0.0  0.0  1.0
  P  P17  1  0.76  0.0  0.0  1.0

Mn Mn Mn Mn Mn Mn B B B B B B B B B B P P