data_[Na2Ca1Cu2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4528]
_cell_length_b [6.7659]
_cell_length_c [8.7708]
_cell_angle_alpha [104.8821]
_cell_angle_beta [100.2090]
_cell_angle_gamma [96.0651]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2Ca(CuTe2)2]
_chemical_formula_sum '[Na2 Ca1 Cu2 Te4]'
_cell_volume [248.1374]
_cell_formula_units_Z [1]
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
[
  Na  Na0  2  0.0765  0.6052  0.3252  1.0
  Ca  Ca1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.2398  0.0131  0.6095  1.0
  Te  Te3  2  0.2878  0.1876  0.3692  1.0
  Te  Te4  2  0.4855  0.7114  0.0970  1.0
]