data_Mn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   5.92
_cell_angle_alpha   105.74
_cell_angle_beta   105.74
_cell_angle_gamma   29.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Cu
_chemical_formula_sum   'Mn4 Cu2'
_cell_volume   67.01
_cell_formula_units_Z   2
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  Mn2  1  0.05  0.0  0.81  1.0
  Mn  Mn3  1  0.11  0.0  0.59  1.0
  Mn  Mn4  1  0.45  0.0  0.48  1.0
  Mn  Mn5  1  0.29  0.0  0.27  1.0
  Cu  Cu0  1  0.04  0.0  0.04  1.0
  Cu  Cu1  1  0.67  0.0  0.92  1.0

data_Mn2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.51
_cell_length_b   4.86
_cell_length_c   5.92
_cell_angle_alpha   105.74
_cell_angle_beta   90.0
_cell_angle_gamma   104.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Cu
_chemical_formula_sum   'Mn4 Cu2'
_cell_volume   67.01
_cell_formula_units_Z   2
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  0.55  0.52  1.0
  Mn  Mn1  1  0.0  0.71  0.73  1.0
  Mn  Mn2  1  0.0  0.89  0.41  1.0
  Mn  Mn3  1  0.0  0.95  0.19  1.0
  Cu  Cu4  1  0.0  0.33  0.08  1.0
  Cu  Cu5  1  0.0  0.96  0.96  1.0

Mn Mn Mn Mn Cu Cu