data_KBeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   6.61
_cell_angle_alpha   147.1
_cell_angle_beta   147.1
_cell_angle_gamma   47.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeTe
_chemical_formula_sum   'K1 Be1 Te1'
_cell_volume   84.9
_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  K1  1  0.0  0.0  0.14  1.0
  Be  Be0  1  0.0  0.0  0.34  1.0
  Te  Te2  1  0.0  0.0  0.75  1.0

data_KBeTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   113.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KBeTe
_chemical_formula_sum   'K2 Be2 Te2'
_cell_volume   169.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.86  1.0
  Be  Be1  2  0.0  0.0  0.66  1.0
  Te  Te2  2  0.0  0.0  0.25  1.0

K Be Te
K Be Te 0 1 o o o 0 2 o o - 1 2 o o o 