data_KMgCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   143.9
_cell_angle_beta   143.9
_cell_angle_gamma   51.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgCu
_chemical_formula_sum   'K1 Mg1 Cu1'
_cell_volume   76.27
_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  K1  1  0.0  0.0  0.67  1.0
  Mg  Mg2  1  0.0  0.0  0.16  1.0
  Cu  Cu0  1  0.0  0.0  0.04  1.0

data_KMgCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   115.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMgCu
_chemical_formula_sum   'K2 Mg2 Cu2'
_cell_volume   152.54
_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  0.0  0.0  0.33  1.0
  Mg  Mg1  2  0.0  0.0  0.84  1.0
  Cu  Cu2  2  0.0  0.0  0.96  1.0

K Mg Cu