# generated using pymatgen
data_TmZrBIr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73927890
_cell_length_b   5.73927845
_cell_length_c   5.73927866
_cell_angle_alpha   59.99999877
_cell_angle_beta   60.00000138
_cell_angle_gamma   59.99999831
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmZrBIr6
_chemical_formula_sum   'Tm1 Zr1 B1 Ir6'
_cell_volume   133.67707527
_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  0.75000000  0.75000000  0.75000000  1.0
  Zr  Zr1  1  0.25000000  0.25000000  0.25000000  1.0
  B  B2  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir3  1  0.74170041  0.74170041  0.25829959  1.0
  Ir  Ir4  1  0.25829959  0.74170041  0.25829959  1.0
  Ir  Ir5  1  0.74170041  0.25829959  0.25829959  1.0
  Ir  Ir6  1  0.25829959  0.25829959  0.74170041  1.0
  Ir  Ir7  1  0.74170041  0.25829959  0.74170041  1.0
  Ir  Ir8  1  0.25829959  0.74170041  0.74170041  1.0