data_MnP2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.97
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   97.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnP2Pd
_chemical_formula_sum   'Mn1 P2 Pd1'
_cell_volume   54.9
_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  0.0  0.0  1.0
  P  P1  1  0.45  0.48  0.27  1.0
  P  P2  1  0.69  0.48  0.06  1.0
  Pd  Pd3  1  0.07  0.0  0.16  1.0

data_MnP2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.97
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   97.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnP2Pd
_chemical_formula_sum   'Mn1 P2 Pd1'
_cell_volume   54.9
_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  0.0  0.0  1.0
  P  P1  1  0.45  0.48  0.27  1.0
  P  P2  1  0.69  0.48  0.06  1.0
  Pd  Pd3  1  0.07  0.0  0.16  1.0

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