data_MnZn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   6.31
_cell_angle_alpha   110.94
_cell_angle_beta   110.94
_cell_angle_gamma   39.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2Cl
_chemical_formula_sum   'Mn1 Zn2 Cl1'
_cell_volume   81.47
_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  Mn1  1  0.98  0.0  0.78  1.0
  Zn  Zn2  1  0.23  0.0  0.8  1.0
  Zn  Zn3  1  0.07  0.0  0.91  1.0
  Cl  Cl0  1  0.68  0.0  0.11  1.0

data_MnZn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.67
_cell_length_c   6.31
_cell_angle_alpha   110.94
_cell_angle_beta   90.0
_cell_angle_gamma   109.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2Cl
_chemical_formula_sum   'Mn1 Zn2 Cl1'
_cell_volume   81.47
_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  0.02  0.22  1.0
  Zn  Zn1  1  0.0  0.77  0.2  1.0
  Zn  Zn2  1  0.0  0.93  0.09  1.0
  Cl  Cl3  1  0.0  0.32  0.89  1.0

Mn Zn Zn Cl