data_KMgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.0
_cell_angle_alpha   107.0
_cell_angle_beta   107.0
_cell_angle_gamma   39.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgSb2
_chemical_formula_sum   'K1 Mg1 Sb2'
_cell_volume   129.95
_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  0.82  0.0  0.06  1.0
  Mg  Mg1  1  0.92  0.0  0.72  1.0
  Sb  Sb2  1  0.04  0.0  0.24  1.0
  Sb  Sb3  1  0.78  0.0  0.53  1.0

data_KMgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   6.0
_cell_length_c   6.02
_cell_angle_alpha   107.0
_cell_angle_beta   109.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgSb2
_chemical_formula_sum   'K1 Mg1 Sb2'
_cell_volume   129.95
_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  0.06  0.82  1.0
  Mg  Mg1  1  0.0  0.72  0.92  1.0
  Sb  Sb2  1  0.0  0.24  0.04  1.0
  Sb  Sb3  1  0.0  0.53  0.78  1.0

K Mg Sb Sb