data_[Zr2Ga2Cu2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  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 [8.8104]
_cell_length_b [4.0590]
_cell_length_c [9.6801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrGaCuTe3]
_chemical_formula_sum '[Zr2 Ga2 Cu2 Te6]'
_cell_volume [330.1760]
_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  0.3054  0.2500  0.8203  1.0
  Ga  Ga1  2  0.2157  0.7500  0.2414  1.0
  Cu  Cu2  2  0.0838  0.7500  0.5928  1.0
  Te  Te3  2  0.0876  0.7500  0.8662  1.0
  Te  Te4  2  0.2372  0.2500  0.5142  1.0
  Te  Te5  2  0.4422  0.2500  0.1490  1.0
]