data_KBeIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   131.5
_cell_angle_beta   115.8
_cell_angle_gamma   84.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeIn2
_chemical_formula_sum   'K1 Be1 In2'
_cell_volume   118.32
_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  K3  1  0.33  0.0  0.11  1.0
  Be  Be0  1  0.0  0.0  0.16  1.0
  In  In1  1  0.33  0.0  0.65  1.0
  In  In2  1  0.0  0.0  0.7  1.0

data_KBeIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.66
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   64.2
_cell_angle_beta   65.75
_cell_angle_gamma   65.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeIn2
_chemical_formula_sum   'K1 Be1 In2'
_cell_volume   118.32
_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  0.0  0.67  0.11  1.0
  Be  Be1  1  0.0  0.0  0.16  1.0
  In  In2  1  0.0  0.0  0.7  1.0
  In  In3  1  0.0  0.67  0.65  1.0

K Be In In
K Be In In 0 3 o o - 0 1 o o o 2 3 o o o 