# generated using pymatgen
data_Ca5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88462232
_cell_length_b   3.88462232
_cell_length_c   18.42540921
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00002955
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Mg
_chemical_formula_sum   'Ca5 Mg1'
_cell_volume   240.79376956
_cell_formula_units_Z   1
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  0.66666700  0.33333300  0.85337041  1.0
  Ca  Ca1  1  0.00000000  -0.00000000  0.67605356  1.0
  Ca  Ca2  1  0.66666700  0.33333300  0.50000000  1.0
  Ca  Ca3  1  0.00000000  -0.00000000  0.32394644  1.0
  Ca  Ca4  1  0.66666700  0.33333300  0.14662959  1.0
  Mg  Mg5  1  0.00000000  -0.00000000  0.00000000  1.0