# generated using pymatgen
data_Er(Fe5Re)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69642800
_cell_length_b   6.47323378
_cell_length_c   6.47323378
_cell_angle_alpha   96.93615450
_cell_angle_beta   111.26963946
_cell_angle_gamma   68.73036054
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er(Fe5Re)2
_chemical_formula_sum   'Er1 Fe10 Re2'
_cell_volume   170.88336888
_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
  Er  Er0  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.71959600  0.78040400  0.21959600  1.0
  Fe  Fe2  1  0.28040400  0.21959600  0.78040400  1.0
  Fe  Fe3  1  0.50000000  0.77248200  0.77248200  1.0
  Fe  Fe4  1  0.50000000  0.22751800  0.22751800  1.0
  Fe  Fe5  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe6  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe7  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe8  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe9  1  0.64094400  0.35905600  0.64094400  1.0
  Fe  Fe10  1  0.35905600  0.64094400  0.35905600  1.0
  Re  Re11  1  0.00000000  0.35713200  0.35713200  1.0
  Re  Re12  1  0.00000000  0.64286800  0.64286800  1.0