data_[La2Cu2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0505]
_cell_length_b [4.4810]
_cell_length_c [7.8128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaCuTe2]
_chemical_formula_sum '[La2 Cu2 Te4]'
_cell_volume [246.8342]
_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  1  0.0000  0.0000  0.0000  1.0
  La  La1  1  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  2  0.3420  0.5000  0.1666  1.0
  Te  Te3  2  0.2709  0.0000  0.3340  1.0
  Te  Te4  2  0.2733  0.5000  0.8344  1.0
]