# generated using pymatgen
data_TmZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39142972
_cell_length_b   3.39143060
_cell_length_c   5.28377897
_cell_angle_alpha   90.00098191
_cell_angle_beta   89.99910191
_cell_angle_gamma   119.99899777
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmZr
_chemical_formula_sum   'Tm1 Zr1'
_cell_volume   52.63145974
_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
  Tm  Tm0  1  0.66666928  0.33332972  0.74999761  1.0
  Zr  Zr1  1  0.33332972  0.66666728  0.25000239  1.0