data_[Ce2Cu2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [7.0294]
_cell_length_b [4.4344]
_cell_length_c [7.7141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CeCuTe2]
_chemical_formula_sum '[Ce2 Cu2 Te4]'
_cell_volume [240.4561]
_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
[
  Ce  Ce0  1  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  1  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  2  0.3395  0.5000  0.8340  1.0
  Te  Te3  2  0.2687  0.0000  0.6633  1.0
  Te  Te4  2  0.2711  0.5000  0.1692  1.0
]