data_[Ca2Gd2Cu2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Gd  1.2000  1.8000  1.0750
  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 [8.4718]
_cell_length_b [4.2438]
_cell_length_c [10.1650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaGdCuTe3]
_chemical_formula_sum '[Ca2 Gd2 Cu2 Te6]'
_cell_volume [356.4438]
_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
[
  Ca  Ca0  2  0.2130  0.2500  0.7874  1
  Gd  Gd1  2  0.3137  0.7500  0.3334  1
  Cu  Cu2  2  0.0745  0.2500  0.0820  1
  Te  Te3  2  0.0583  0.2500  0.3416  1
  Te  Te4  2  0.2485  0.7500  0.0262  1
  Te  Te5  2  0.4169  0.7500  0.6529  1
]