# generated using pymatgen
data_CaMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86666719
_cell_length_b   6.86666719
_cell_length_c   8.27834093
_cell_angle_alpha   74.77051089
_cell_angle_beta   74.77051089
_cell_angle_gamma   30.74391245
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg
_chemical_formula_sum   'Ca3 Mg3'
_cell_volume   191.99138542
_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  0.97992700  0.97992700  0.00643900  1.0
  Ca  Ca1  1  0.62221800  0.62221800  0.27387400  1.0
  Ca  Ca2  1  0.67397600  0.67397600  0.66711100  1.0
  Mg  Mg3  1  0.33894800  0.33894800  0.34158500  1.0
  Mg  Mg4  1  0.94255100  0.94255100  0.60790500  1.0
  Mg  Mg5  1  0.27571400  0.27571400  0.93642000  1.0