# generated using pymatgen
data_CaMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12019240
_cell_length_b   9.12019240
_cell_length_c   5.61730100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   158.24973155
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2
_chemical_formula_sum   'Ca2 Mg4'
_cell_volume   173.13956880
_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  0.28647400  0.71352600  0.25000000  1.0
  Ca  Ca1  1  0.71352600  0.28647400  0.75000000  1.0
  Mg  Mg2  1  0.60493400  0.39506600  0.25000000  1.0
  Mg  Mg3  1  0.95331100  0.04668900  0.25000000  1.0
  Mg  Mg4  1  0.04668900  0.95331100  0.75000000  1.0
  Mg  Mg5  1  0.39506600  0.60493400  0.75000000  1.0