data_K2MgSc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   8.68
_cell_angle_alpha   93.95
_cell_angle_beta   93.95
_cell_angle_gamma   35.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MgSc
_chemical_formula_sum   'K2 Mg1 Sc1'
_cell_volume   165.26
_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  K0  1  0.35  0.0  0.31  1.0
  K  K1  1  0.16  0.0  0.48  1.0
  Mg  Mg2  1  0.24  0.0  0.9  1.0
  Sc  Sc3  1  0.17  0.0  0.94  1.0

data_K2MgSc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.77
_cell_length_c   8.68
_cell_angle_alpha   93.95
_cell_angle_beta   90.0
_cell_angle_gamma   107.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MgSc
_chemical_formula_sum   'K2 Mg1 Sc1'
_cell_volume   165.26
_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  K0  1  0.0  0.65  0.69  1.0
  K  K1  1  0.0  0.84  0.52  1.0
  Mg  Mg2  1  0.0  0.76  0.1  1.0
  Sc  Sc3  1  0.0  0.83  0.06  1.0

K K Mg Sc