# generated using pymatgen
data_Ca2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54854982
_cell_length_b   7.54854982
_cell_length_c   5.47850666
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   137.01770936
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Mg
_chemical_formula_sum   'Ca4 Mg2'
_cell_volume   212.82791070
_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  0.10522804  0.40104746  0.75000000  1.0
  Ca  Ca1  1  0.40104746  0.10522804  0.75000000  1.0
  Ca  Ca2  1  0.59895254  0.89477196  0.25000000  1.0
  Ca  Ca3  1  0.89477196  0.59895254  0.25000000  1.0
  Mg  Mg4  1  0.75879063  0.75879063  0.75000000  1.0
  Mg  Mg5  1  0.24120937  0.24120937  0.25000000  1.0