[CIF]
data_CaMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71563622
_cell_length_b   6.71563622
_cell_length_c   5.25279350
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.23011250
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg3
_chemical_formula_sum   'Ca2 Mg6'
_cell_volume   216.02998523
_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  3.64628017  -1.53615056  1.31319838  1
  Ca  Ca1  1  3.64628017  1.53615056  3.93959513  1
  Mg  Mg2  1  1.54296046  -1.06120233  3.93959513  1
  Mg  Mg3  1  3.64628017  -3.69466113  3.93959513  1
  Mg  Mg4  1  1.54296046  1.06120233  1.31319838  1
  Mg  Mg5  1  5.74959988  -1.06120233  3.93959513  1
  Mg  Mg6  1  3.64628017  3.69466113  1.31319838  1
  Mg  Mg7  1  5.74959988  1.06120233  1.31319838  1
[/CIF]
