# generated using pymatgen
data_ErCu6ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47818537
_cell_length_b   6.47818534
_cell_length_c   6.47818527
_cell_angle_alpha   60.00000533
_cell_angle_beta   60.00000547
_cell_angle_gamma   60.00000062
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErCu6ClO8
_chemical_formula_sum   'Er1 Cu6 Cl1 O8'
_cell_volume   192.24061349
_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
  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  0.85630249  0.85630249  0.43109354  1.0
  O  O9  1  0.85630249  0.43109354  0.85630249  1.0
  O  O10  1  0.43109354  0.85630249  0.85630249  1.0
  O  O11  1  0.85630249  0.85630249  0.85630249  1.0
  O  O12  1  0.14369751  0.14369751  0.56890646  1.0
  O  O13  1  0.14369751  0.56890646  0.14369751  1.0
  O  O14  1  0.56890646  0.14369751  0.14369751  1.0
  O  O15  1  0.14369751  0.14369751  0.14369751  1.0