data_KMgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   9.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgSb2
_chemical_formula_sum   'K1 Mg1 Sb2'
_cell_volume   113.88
_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  0.0  0.75  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.37  0.0  0.01  1.0
  Sb  Sb3  1  0.37  0.0  0.49  1.0

data_KMgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   9.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgSb2
_chemical_formula_sum   'K1 Mg1 Sb2'
_cell_volume   113.88
_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  0.0  0.75  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.37  0.0  0.01  1.0
  Sb  Sb3  1  0.37  0.0  0.49  1.0

K Mg Sb Sb