data_[Rb1Y1Mg2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9506]
_cell_length_b [6.9859]
_cell_length_c [9.6434]
_cell_angle_alpha [76.2792]
_cell_angle_beta [77.4447]
_cell_angle_gamma [76.1516]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbYMg2Br8]
_chemical_formula_sum '[Rb1 Y1 Mg2 Br8]'
_cell_volume [435.2129]
_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  0.0000  0.0000  0.5000  1.0
  Y  Y1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.4546  0.4482  0.7127  1.0
  Br  Br3  2  0.1855  0.7251  0.2249  1.0
  Br  Br4  2  0.2480  0.7895  0.7872  1.0
  Br  Br5  2  0.2802  0.2447  0.9560  1.0
  Br  Br6  2  0.3562  0.3127  0.5195  1.0
]