data_Mn5Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   6.69
_cell_length_c   6.69
_cell_angle_alpha   21.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn5Zn
_chemical_formula_sum   'Mn5 Zn1'
_cell_volume   66.79
_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  0.05  1.0
  Mn  Mn1  1  0.0  0.0  0.72  1.0
  Mn  Mn2  1  0.0  0.0  0.31  1.0
  Mn  Mn3  1  0.03  0.0  0.4  1.0
  Mn  Mn4  1  0.03  0.0  0.88  1.0
  Zn  Zn5  1  0.03  0.0  0.71  1.0

data_Mn5Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   4.06
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   100.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn5Zn
_chemical_formula_sum   'Mn5 Zn1'
_cell_volume   66.79
_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  0.12  0.03  0.12  1.0
  Mn  Mn1  1  0.28  0.0  0.28  1.0
  Mn  Mn2  1  0.6  0.03  0.6  1.0
  Mn  Mn3  1  0.69  0.0  0.69  1.0
  Mn  Mn4  1  0.95  0.0  0.95  1.0
  Zn  Zn5  1  0.29  0.03  0.29  1.0

Mn Mn Mn Mn Mn Zn