data_MnSi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.2
_cell_angle_alpha   104.36
_cell_angle_beta   104.36
_cell_angle_gamma   36.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSi2Pd
_chemical_formula_sum   'Mn1 Si2 Pd1'
_cell_volume   51.11
_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  0.77  0.0  0.68  1.0
  Si  Si2  1  0.99  0.0  0.87  1.0
  Si  Si3  1  0.2  0.0  0.3  1.0
  Pd  Pd1  1  0.33  0.0  0.29  1.0

data_MnSi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.2
_cell_length_c   4.58
_cell_angle_alpha   104.36
_cell_angle_beta   108.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSi2Pd
_chemical_formula_sum   'Mn1 Si2 Pd1'
_cell_volume   51.11
_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  0.68  0.77  1.0
  Si  Si1  1  0.0  0.3  0.2  1.0
  Si  Si2  1  0.0  0.87  0.99  1.0
  Pd  Pd3  1  0.0  0.29  0.33  1.0

Mn Si Si Pd