data_CaMgAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.55
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   91.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgAu2
_chemical_formula_sum   'Ca1 Mg1 Au2'
_cell_volume   84.65
_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
  Ca  Ca2  1  0.93  0.0  0.45  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.7  0.78  0.51  1.0
  Au  Au1  1  0.62  0.78  0.39  1.0

data_CaMgAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   3.55
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   91.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgAu2
_chemical_formula_sum   'Ca1 Mg1 Au2'
_cell_volume   84.65
_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
  Ca  Ca0  1  0.93  0.0  0.45  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.62  0.78  0.39  1.0
  Au  Au3  1  0.7  0.78  0.51  1.0

Ca Mg Au Au