data_KMnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   3.12
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnP2
_chemical_formula_sum   'K1 Mn1 P2'
_cell_volume   65.68
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.78  1.0
  P  P2  1  0.39  0.56  0.05  1.0
  P  P3  1  0.39  0.56  0.51  1.0

data_KMnP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   3.12
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnP2
_chemical_formula_sum   'K1 Mn1 P2'
_cell_volume   65.68
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.78  1.0
  P  P2  1  0.39  0.56  0.05  1.0
  P  P3  1  0.39  0.56  0.51  1.0

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