data_[La4Co1Cu1I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2341]
_cell_length_b [4.3131]
_cell_length_c [8.5117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4CoCuI2]
_chemical_formula_sum '[La4 Co1 Cu1 I2]'
_cell_volume [255.2271]
_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  2  0.2572  0.5000  0.1849  1.0
  La  La1  2  0.2756  0.0000  0.8135  1.0
  Co  Co2  1  0.5000  0.5000  0.0000  1.0
  Cu  Cu3  1  0.0000  0.0000  0.0000  1.0
  I  I4  1  0.0000  0.5000  0.5000  1.0
  I  I5  1  0.5000  0.0000  0.5000  1.0
]