data_[Rb1Sm1Cu1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9233]
_cell_length_b [7.0496]
_cell_length_c [7.7357]
_cell_angle_alpha [92.8570]
_cell_angle_beta [95.2307]
_cell_angle_gamma [113.0374]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbSmCuBr6]
_chemical_formula_sum '[Rb1 Sm1 Cu1 Br6]'
_cell_volume [344.4844]
_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
[
  Rb  Rb0  1  0.9581  0.0223  0.0002  1.0
  Sm  Sm1  1  0.3240  0.6890  0.5092  1.0
  Cu  Cu2  1  0.6905  0.3550  0.4764  1.0
  Br  Br3  1  0.0023  0.3523  0.6586  1.0
  Br  Br4  1  0.3780  0.9757  0.7867  1.0
  Br  Br5  1  0.4046  0.3869  0.2816  1.0
  Br  Br6  1  0.6176  0.0093  0.3266  1.0
  Br  Br7  1  0.6424  0.5848  0.7058  1.0
  Br  Br8  1  0.9824  0.6249  0.2550  1.0
]