data_MnCuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   3.3
_cell_angle_alpha   107.39
_cell_angle_beta   107.39
_cell_angle_gamma   98.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCuCl2
_chemical_formula_sum   'Mn1 Cu1 Cl2'
_cell_volume   73.3
_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  Mn3  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.27  0.0  0.0  1.0
  Cl  Cl0  1  0.63  0.91  0.0  1.0
  Cl  Cl1  1  0.63  0.09  0.0  1.0

data_MnCuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   98.93
_cell_angle_beta   107.39
_cell_angle_gamma   107.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCuCl2
_chemical_formula_sum   'Mn1 Cu1 Cl2'
_cell_volume   73.3
_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  0.0  1.0
  Cu  Cu1  1  -0.0  0.27  0.0  1.0
  Cl  Cl2  1  -0.0  0.63  0.91  1.0
  Cl  Cl3  1  -0.0  0.63  0.09  1.0

Mn Cu Cl Cl