data_Ca2MnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   5.02
_cell_angle_alpha   112.48
_cell_angle_beta   112.48
_cell_angle_gamma   33.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2MnPd
_chemical_formula_sum   'Ca2 Mn1 Pd1'
_cell_volume   98.25
_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
  Ca  Ca0  1  0.32  0.0  0.18  1.0
  Ca  Ca1  1  0.39  0.0  0.4  1.0
  Mn  Mn2  1  0.37  0.0  0.09  1.0
  Pd  Pd3  1  0.65  0.0  0.23  1.0

data_Ca2MnPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   5.02
_cell_length_c   6.18
_cell_angle_alpha   112.48
_cell_angle_beta   106.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2MnPd
_chemical_formula_sum   'Ca2 Mn1 Pd1'
_cell_volume   98.25
_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
  Ca  Ca0  1  0.0  0.18  0.32  1.0
  Ca  Ca1  1  0.0  0.4  0.39  1.0
  Mn  Mn2  1  0.0  0.09  0.37  1.0
  Pd  Pd3  1  0.0  0.23  0.65  1.0

Ca Ca Mn Pd