data_Mn2CrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   3.07
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrCl
_chemical_formula_sum   'Mn2 Cr1 Cl1'
_cell_volume   61.94
_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  Mn2  1  0.0  0.54  0.81  1.0
  Mn  Mn3  1  0.47  0.0  0.42  1.0
  Cr  Cr1  1  0.47  0.0  0.5  1.0
  Cl  Cl0  1  0.0  0.0  0.41  1.0

data_Mn2CrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   3.07
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrCl
_chemical_formula_sum   'Mn2 Cr1 Cl1'
_cell_volume   61.94
_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  0.54  0.81  1.0
  Mn  Mn1  1  0.47  0.0  0.42  1.0
  Cr  Cr2  1  0.47  0.0  0.5  1.0
  Cl  Cl3  1  0.0  0.0  0.41  1.0

Mn Mn Cr Cl
Mn Mn Cr Cl 0 2 - o o 0 2 - + o 0 2 o o o 0 2 o + o 0 1 - o o 0 1 - + o 0 1 o o o 0 1 o + o 0 0 + o o 0 0 o + o 0 3 o o o 0 3 o + o 1 2 o o o 1 3 + o o 1 3 o o o 2 3 + o o 2 3 o o o 