# generated using pymatgen
data_Ca(GeRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26114978
_cell_length_b   4.26115065
_cell_length_c   5.82433359
_cell_angle_alpha   111.45717880
_cell_angle_beta   111.45717691
_cell_angle_gamma   89.99998987
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(GeRu)2
_chemical_formula_sum   'Ca1 Ge2 Ru2'
_cell_volume   90.50361034
_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  -0.00000000  0.00000000  0.00000000  1.0
  Ge  Ge1  1  0.36627129  0.36627129  0.73254259  1.0
  Ge  Ge2  1  0.63372871  0.63372871  0.26745741  1.0
  Ru  Ru3  1  0.25000000  0.75000000  0.50000000  1.0
  Ru  Ru4  1  0.75000000  0.25000000  0.50000000  1.0