data_[Mn1Ni1Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2159]
_cell_length_b [3.5883]
_cell_length_c [6.4605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MnNiCl4]
_chemical_formula_sum '[Mn1 Ni1 Cl4]'
_cell_volume [143.6063]
_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  0.5000  0.5000  0.0000  1
  Ni  Ni1  1  0.0000  0.0000  0.0000  1
  Cl  Cl2  2  0.1703  0.5000  0.2070  1
  Cl  Cl3  2  0.3013  0.0000  0.7855  1
]