data_Zr2MnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.81
_cell_angle_alpha   100.24
_cell_angle_beta   100.24
_cell_angle_gamma   42.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnPd
_chemical_formula_sum   'Zr2 Mn1 Pd1'
_cell_volume   73.36
_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
  Zr  Zr2  1  0.83  0.0  0.3  1.0
  Zr  Zr3  1  0.25  0.0  0.4  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.54  0.0  0.85  1.0

data_Zr2MnPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.38
_cell_length_c   5.81
_cell_angle_alpha   100.24
_cell_angle_beta   90.0
_cell_angle_gamma   111.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnPd
_chemical_formula_sum   'Zr2 Mn1 Pd1'
_cell_volume   73.36
_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
  Zr  Zr0  1  0.0  0.17  0.7  1.0
  Zr  Zr1  1  0.0  0.75  0.6  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.46  0.15  1.0

Zr Zr Mn Pd