# generated using pymatgen
data_ErCu3Se2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34615900
_cell_length_b   7.03120900
_cell_length_c   9.52196900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErCu3Se2ClO8
_chemical_formula_sum   'Er2 Cu6 Se4 Cl2 O16'
_cell_volume   424.88140011
_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  0.50000000  0.26572900  0.50000000  1.0
  Er  Er1  1  0.00000000  0.73427100  0.00000000  1.0
  Cu  Cu2  1  0.75000000  0.00000000  0.25000000  1.0
  Cu  Cu3  1  0.25000000  0.00000000  0.75000000  1.0
  Cu  Cu4  1  0.25000000  0.00000000  0.25000000  1.0
  Cu  Cu5  1  0.50000000  0.79445400  0.50000000  1.0
  Cu  Cu6  1  0.00000000  0.20554600  0.00000000  1.0
  Cu  Cu7  1  0.75000000  0.00000000  0.75000000  1.0
  Se  Se8  1  0.00000000  0.41207000  0.68853700  1.0
  Se  Se9  1  0.50000000  0.58793000  0.81146300  1.0
  Se  Se10  1  0.50000000  0.58793000  0.18853700  1.0
  Se  Se11  1  0.00000000  0.41207000  0.31146300  1.0
  Cl  Cl12  1  0.00000000  0.85070800  0.50000000  1.0
  Cl  Cl13  1  0.50000000  0.14929200  0.00000000  1.0
  O  O14  1  0.28635900  0.73806000  0.83951600  1.0
  O  O15  1  0.00000000  0.42727600  0.87035700  1.0
  O  O16  1  0.00000000  0.00123300  0.86257400  1.0
  O  O17  1  0.78635900  0.26194000  0.66048400  1.0
  O  O18  1  0.50000000  0.57272400  0.37035700  1.0
  O  O19  1  0.00000000  0.00123300  0.13742600  1.0
  O  O20  1  0.71364100  0.73806000  0.83951600  1.0
  O  O21  1  0.21364100  0.26194000  0.33951600  1.0
  O  O22  1  0.50000000  0.99876700  0.36257400  1.0
  O  O23  1  0.71364100  0.73806000  0.16048400  1.0
  O  O24  1  0.50000000  0.99876700  0.63742600  1.0
  O  O25  1  0.21364100  0.26194000  0.66048400  1.0
  O  O26  1  0.28635900  0.73806000  0.16048400  1.0
  O  O27  1  0.50000000  0.57272400  0.62964300  1.0
  O  O28  1  0.78635900  0.26194000  0.33951600  1.0
  O  O29  1  0.00000000  0.42727600  0.12964300  1.0