data_[Zr2Cu2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1305]
_cell_length_b [4.0020]
_cell_length_c [7.4721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrCuTe2]
_chemical_formula_sum '[Zr2 Cu2 Te4]'
_cell_volume [201.9007]
_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
[
  Zr  Zr0  2  0.2007  0.2500  0.9952  1.0
  Cu  Cu1  2  0.3948  0.2500  0.4071  1.0
  Te  Te2  2  0.0051  0.2500  0.2802  1.0
  Te  Te3  2  0.4982  0.2500  0.7772  1.0
]