data_KYMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85
_cell_length_b   8.85
_cell_length_c   8.85
_cell_angle_alpha   156.36
_cell_angle_beta   156.36
_cell_angle_gamma   33.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYMg
_chemical_formula_sum   'K1 Y1 Mg1'
_cell_volume   111.41
_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  0.15  1.0
  Y  Y2  1  0.0  0.0  0.18  1.0
  Mg  Mg1  1  0.0  0.0  0.61  1.0

data_KYMg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   106.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KYMg
_chemical_formula_sum   'K2 Y2 Mg2'
_cell_volume   222.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.15  0.0  0.15  1.0
  Y  Y1  2  0.18  0.0  0.18  1.0
  Mg  Mg2  2  0.11  0.5  0.61  1.0

K Y Mg