data_KSrBeCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrBeCu
_chemical_formula_sum   'K1 Sr1 Be1 Cu1'
_cell_volume   99.26
_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  K2  1  0.67  0.67  0.67  1.0
  Sr  Sr3  1  0.84  0.84  0.84  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.51  0.51  0.51  1.0

data_KSrBeCu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KSrBeCu
_chemical_formula_sum   'K3 Sr3 Be3 Cu3'
_cell_volume   297.79
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.33  1.0
  Sr  Sr1  3  0.0  0.0  0.16  1.0
  Be  Be2  3  0.0  0.0  0.0  1.0
  Cu  Cu3  3  0.0  0.0  0.49  1.0

K Sr Be Cu
K Sr Be Cu 0 3 o o o 0 1 o o o 1 2 + + + 
KSrBeCu crystallizes in the trigonal R3m space group. K(1) is bonded in a 5-coordinate geometry to one Sr(1), three equivalent Be(1), and one Cu(1) atom. The K(1)-Sr(1) bond length is 2.07 Å. All K(1)-Be(1) bond lengths are 3.00 Å. The K(1)-Cu(1) bond length is 2.07 Å. Sr(1) is bonded to one K(1), one Be(1), and three equivalent Cu(1) atoms to form distorted SrKBeCu3 trigonal bipyramids that share corners with six equivalent Sr(1)KBeCu3 trigonal bipyramids and corners with three equivalent Be(1)K3Sr trigonal pyramids. The Sr(1)-Be(1) bond length is 2.07 Å. All Sr(1)-Cu(1) bond lengths are 3.00 Å. Be(1) is bonded to three equivalent K(1) and one Sr(1) atom to form distorted BeK3Sr trigonal pyramids that share corners with three equivalent Sr(1)KBeCu3 trigonal bipyramids and corners with six equivalent Be(1)K3Sr trigonal pyramids. Cu(1) is bonded in a distorted single-bond geometry to one K(1) and three equivalent Sr(1) atoms.