# generated using pymatgen
data_TmCu6ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46664366
_cell_length_b   6.46664334
_cell_length_c   6.46664300
_cell_angle_alpha   60.00000172
_cell_angle_beta   60.00000337
_cell_angle_gamma   59.99999487
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmCu6ClO8
_chemical_formula_sum   'Tm1 Cu6 Cl1 O8'
_cell_volume   191.21489795
_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  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu2  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu3  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu4  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu5  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu6  1  0.50000000  0.00000000  0.00000000  1.0
  Cl  Cl7  1  0.50000000  0.50000000  0.50000000  1.0
  O  O8  1  0.85666504  0.85666504  0.43000389  1.0
  O  O9  1  0.85666504  0.43000389  0.85666504  1.0
  O  O10  1  0.43000389  0.85666504  0.85666504  1.0
  O  O11  1  0.85666504  0.85666504  0.85666504  1.0
  O  O12  1  0.14333496  0.14333496  0.56999611  1.0
  O  O13  1  0.14333496  0.56999611  0.14333496  1.0
  O  O14  1  0.56999611  0.14333496  0.14333496  1.0
  O  O15  1  0.14333496  0.14333496  0.14333496  1.0