data_[K1Be2Te1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Be  1.5700  1.0500  0.5900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.9091]
_cell_length_b [3.9937]
_cell_length_c [6.5924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KBe2Te]
_chemical_formula_sum '[K1 Be2 Te1]'
_cell_volume [99.3577]
_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
[
  K  K0  1  0.5477  0.0000  0.4686  1
  Be  Be1  1  0.8173  0.5000  0.1107  1
  Be  Be2  1  0.9174  0.0000  0.0495  1
  Te  Te3  1  0.2175  0.5000  0.8713  1
]