data_[Sm2Cu2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [6.9630]
_cell_length_b [4.4047]
_cell_length_c [7.6066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SmCuTe2]
_chemical_formula_sum '[Sm2 Cu2 Te4]'
_cell_volume [233.2945]
_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
[
  Sm  Sm0  1  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  1  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  2  0.3398  0.5000  0.8345  1.0
  Te  Te3  2  0.2680  0.5000  0.1713  1.0
  Te  Te4  2  0.2685  0.0000  0.6611  1.0
]