# generated using pymatgen
data_Er2(ThOs)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39310713
_cell_length_b   8.28219937
_cell_length_c   8.28221555
_cell_angle_alpha   119.99994008
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2(ThOs)3
_chemical_formula_sum   'Er4 Th6 Os6'
_cell_volume   379.78261984
_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
  Er  Er0  1  0.49999886  0.33332443  0.66664805  1.0
  Er  Er1  1  0.49999886  0.66667637  0.33335195  1.0
  Er  Er2  1  0.99999886  0.66667557  0.33335195  1.0
  Er  Er3  1  0.99999886  0.33332363  0.66664805  1.0
  Th  Th4  1  0.75000218  0.25409676  1.00000000  1.0
  Th  Th5  1  0.75000232  0.74589669  0.74589843  1.0
  Th  Th6  1  0.75000232  0.99999926  0.25410157  1.0
  Th  Th7  1  0.25000218  0.74590324  0.00000000  1.0
  Th  Th8  1  0.25000232  0.25410331  0.25410157  1.0
  Th  Th9  1  0.25000232  0.00000074  0.74589843  1.0
  Os  Os10  1  0.74999855  0.61543108  1.00000000  1.0
  Os  Os11  1  0.74999896  0.38457549  0.38458332  1.0
  Os  Os12  1  0.74999896  0.99999317  0.61541668  1.0
  Os  Os13  1  0.24999855  0.38456892  0.00000000  1.0
  Os  Os14  1  0.24999896  0.61542451  0.61541668  1.0
  Os  Os15  1  0.24999896  0.00000683  0.38458332  1.0