data_Mn2NiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   147.83
_cell_angle_beta   128.77
_cell_angle_gamma   61.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NiCl
_chemical_formula_sum   'Mn2 Ni1 Cl1'
_cell_volume   57.78
_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  0.0  0.25  0.38  1.0
  Mn  Mn2  1  0.0  0.0  0.28  1.0
  Ni  Ni3  1  0.0  0.25  0.02  1.0
  Cl  Cl0  1  0.0  0.0  0.71  1.0

data_Mn2NiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.5
_cell_length_c   5.2
_cell_angle_alpha   115.61
_cell_angle_beta   106.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NiCl
_chemical_formula_sum   'Mn2 Ni1 Cl1'
_cell_volume   57.78
_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  0.62  0.87  0.87  1.0
  Mn  Mn1  1  0.72  0.72  0.72  1.0
  Ni  Ni2  1  0.98  0.23  0.23  1.0
  Cl  Cl3  1  0.29  0.29  0.29  1.0

Mn Mn Ni Cl