data_[La4Mn2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7182]
_cell_length_b [7.8431]
_cell_length_c [3.3947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2MnCl]
_chemical_formula_sum '[La4 Mn2 Cl2]'
_cell_volume [203.4867]
_cell_formula_units_Z [2]
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  4  0.2500  0.2500  0.0000  1
  Mn  Mn1  2  0.0000  0.0000  0.5000  1
  Cl  Cl2  2  0.0000  0.5000  0.5000  1
]