data_MnRe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03
_cell_length_b   9.03
_cell_length_c   9.03
_cell_angle_alpha   17.24
_cell_angle_beta   17.24
_cell_angle_gamma   17.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2Pd
_chemical_formula_sum   'Mn1 Re2 Pd1'
_cell_volume   56.38
_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
  Re  Re2  1  0.0  0.0  0.86  1.0
  Re  Re3  1  0.0  0.0  0.81  1.0
  Pd  Pd1  1  0.0  0.0  0.34  1.0

data_MnRe2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.69
_cell_length_b   2.71
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   99.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnRe2Pd
_chemical_formula_sum   'Mn2 Re4 Pd2'
_cell_volume   112.76
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.0  0.0  0.14  1.0
  Re  Re2  2  0.0  0.0  0.19  1.0
  Pd  Pd3  2  0.0  0.0  0.66  1.0

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