data_[K2Ca2Zr2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6338]
_cell_length_b [4.2099]
_cell_length_c [12.4870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCaZrTe3]
_chemical_formula_sum '[K2 Ca2 Zr2 Te6]'
_cell_volume [438.8559]
_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
[
  K  K0  2  0.4904  0.7500  0.6813  1
  Ca  Ca1  2  0.0069  0.7500  0.3665  1
  Zr  Zr2  2  0.0890  0.7500  0.9178  1
  Te  Te3  2  0.1688  0.7500  0.1521  1
  Te  Te4  2  0.2350  0.2500  0.4877  1
  Te  Te5  2  0.2846  0.2500  0.8557  1
]