data_MnSi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   137.71
_cell_angle_beta   137.71
_cell_angle_gamma   61.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSi2Pd
_chemical_formula_sum   'Mn1 Si2 Pd1'
_cell_volume   52.41
_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  0.21  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.76  0.0  0.1  1.0
  Pd  Pd1  1  0.0  0.76  0.1  1.0

data_MnSi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   4.89
_cell_angle_alpha   111.14
_cell_angle_beta   111.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSi2Pd
_chemical_formula_sum   'Mn1 Si2 Pd1'
_cell_volume   52.41
_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  0.21  0.21  0.21  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.1  0.34  0.34  1.0
  Pd  Pd3  1  0.34  0.1  0.34  1.0

Mn Si Si Pd
Mn Si Si Pd 0 2 - o o 0 3 o - o 0 1 o o o 