[CIF]
data_Ca5Mg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98432444
_cell_length_b   9.98432444
_cell_length_c   6.92620668
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Mg4
_chemical_formula_sum   'Ca10 Mg8'
_cell_volume   597.94804275
_cell_formula_units_Z   2
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  3.52418906  6.10407451  5.19465501  1
  Ca  Ca1  1  2.93594631  0.00000000  5.19465501  1
  Ca  Ca2  1  -1.46797316  2.54260409  5.19465501  1
  Ca  Ca3  1  1.46797316  2.54260409  1.73155167  1
  Ca  Ca4  1  7.04837813  0.00000000  1.73155167  1
  Ca  Ca5  1  -3.52418906  6.10407451  1.73155167  1
  Ca  Ca6  1  -0.00000000  5.76445240  3.46310334  1
  Ca  Ca7  1  4.99216222  2.88222620  0.00000000  1
  Ca  Ca8  1  4.99216222  2.88222620  3.46310334  1
  Ca  Ca9  1  -0.00000000  5.76445240  0.00000000  1
  Mg  Mg10  1  0.00000000  0.00000000  3.46310334  1
  Mg  Mg11  1  0.00000000  0.00000000  0.00000000  1
  Mg  Mg12  1  1.83041936  3.17037933  5.19465501  1
  Mg  Mg13  1  6.32348572  0.00000000  5.19465501  1
  Mg  Mg14  1  -3.16174286  5.47629927  5.19465501  1
  Mg  Mg15  1  3.16174286  5.47629927  1.73155167  1
  Mg  Mg16  1  3.66083872  0.00000000  1.73155167  1
  Mg  Mg17  1  -1.83041936  3.17037933  1.73155167  1
[/CIF]
