# generated using pymatgen
data_CaMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09414050
_cell_length_b   7.09414050
_cell_length_c   8.05083813
_cell_angle_alpha   75.78767876
_cell_angle_beta   75.78767876
_cell_angle_gamma   29.26227481
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg
_chemical_formula_sum   'Ca3 Mg3'
_cell_volume   191.56996729
_cell_formula_units_Z   3
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  0.60272500  0.60272500  0.27635600  1.0
  Ca  Ca1  1  0.33417800  0.33417800  0.36004900  1.0
  Ca  Ca2  1  0.28801400  0.28801400  0.91172900  1.0
  Mg  Mg3  1  0.99986600  0.99986600  0.99134000  1.0
  Mg  Mg4  1  0.95906000  0.95906000  0.61553400  1.0
  Mg  Mg5  1  0.64948900  0.64948900  0.67832600  1.0