data_[K4Ca4Er4Te12]
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
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6844]
_cell_length_b [16.1851]
_cell_length_c [12.1137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KCaErTe3]
_chemical_formula_sum '[K4 Ca4 Er4 Te12]'
_cell_volume [918.4251]
_cell_formula_units_Z [4]
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  4  0.0000  0.2566  0.7500  1
  Ca  Ca1  4  0.0000  0.4643  0.2500  1
  Er  Er2  4  0.0000  0.0000  0.0000  1
  Te  Te3  8  0.0000  0.3731  0.0378  1
  Te  Te4  4  0.0000  0.0751  0.2500  1
]