data_Mn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   2.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Cu
_chemical_formula_sum   'Mn6 Cu3'
_cell_volume   98.75
_cell_formula_units_Z   3
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  Mn3  1  0.93  0.84  0.21  1.0
  Mn  Mn4  1  0.78  0.84  0.0  1.0
  Mn  Mn5  1  0.13  0.0  0.21  1.0
  Mn  Mn6  1  0.36  0.1  0.21  1.0
  Mn  Mn7  1  0.44  0.0  0.0  1.0
  Mn  Mn8  1  0.21  0.1  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.96  0.21  1.0
  Cu  Cu2  1  0.43  0.98  0.21  1.0

data_Mn2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.42
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Cu
_chemical_formula_sum   'Mn6 Cu3'
_cell_volume   98.75
_cell_formula_units_Z   3
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  0.44  0.0  1.0
  Mn  Mn1  1  -0.0  0.21  0.1  1.0
  Mn  Mn2  1  0.0  0.78  0.84  1.0
  Mn  Mn3  1  0.21  0.13  0.0  1.0
  Mn  Mn4  1  0.21  0.36  0.1  1.0
  Mn  Mn5  1  0.21  0.93  0.84  1.0
  Cu  Cu6  1  0.0  0.0  0.0  1.0
  Cu  Cu7  1  0.21  0.0  0.96  1.0
  Cu  Cu8  1  0.21  0.43  0.98  1.0

Mn Mn Mn Mn Mn Mn Cu Cu Cu