data_Mn2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2P3
_chemical_formula_sum   'Mn2 P3'
_cell_volume   61.45
_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
  Mn  Mn0  1  0.87  0.08  0.86  1.0
  Mn  Mn1  1  0.0  0.16  0.19  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.87  0.08  0.2  1.0
  P  P4  1  0.0  0.16  0.85  1.0

data_Mn2P3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2P3
_chemical_formula_sum   'Mn2 P3'
_cell_volume   61.45
_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
  Mn  Mn0  1  0.0  0.16  0.19  1.0
  Mn  Mn1  1  0.87  0.08  0.86  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.16  0.85  1.0
  P  P4  1  0.87  0.08  0.2  1.0

Mn Mn P P P
Mn Mn P P P 0 4 + o o 0 2 + o + 1 3 - o o 1 2 o o o 2 4 o o - 