data_Zr2MnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.12
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnCl
_chemical_formula_sum   'Zr2 Mn1 Cl1'
_cell_volume   77.19
_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
  Zr  Zr2  1  0.93  0.56  0.42  1.0
  Zr  Zr3  1  0.17  0.56  0.29  1.0
  Mn  Mn1  1  0.55  0.0  0.86  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Zr2MnCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.2
_cell_length_c   7.72
_cell_angle_alpha   90.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnCl
_chemical_formula_sum   'Zr2 Mn1 Cl1'
_cell_volume   77.19
_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
  Zr  Zr0  1  0.44  0.07  0.58  1.0
  Zr  Zr1  1  0.44  0.83  0.71  1.0
  Mn  Mn2  1  0.0  0.45  0.14  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zr Zr Mn Cl