data_[Er4Mo4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mo  2.1600  1.4500  0.7750
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4856]
_cell_length_b [7.2440]
_cell_length_c [6.9393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErMoBrO4]
_chemical_formula_sum '[Er4 Mo4 Br4 O16]'
_cell_volume [503.7490]
_cell_formula_units_Z [4]
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  4  0.2302  0.0000  0.1187  1.0
  Mo  Mo1  4  0.1360  0.5000  0.2669  1.0
  Br  Br2  4  0.0113  0.0000  0.7566  1.0
  O  O3  8  0.1984  0.3080  0.1517  1.0
  O  O4  4  0.0419  0.5000  0.8010  1.0
  O  O5  4  0.2016  0.5000  0.5334  1.0
]