data_[La1Ni2Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.5667]
_cell_length_b [3.5677]
_cell_length_c [7.2663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaNi2Cl]
_chemical_formula_sum '[La1 Ni2 Cl1]'
_cell_volume [92.4316]
_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
[
  La  La0  1  0.1293  0.5000  0.2117  1
  Ni  Ni1  1  0.1149  0.0000  0.9267  1
  Ni  Ni2  1  0.6149  0.5000  0.9267  1
  Cl  Cl3  1  0.6409  0.0000  0.4350  1
]