data_[Rb1Ho1Mg2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ho  1.2300  1.7500  1.0410
  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 [6.9412]
_cell_length_b [6.9712]
_cell_length_c [9.6212]
_cell_angle_alpha [76.2665]
_cell_angle_beta [77.4106]
_cell_angle_gamma [75.9947]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbHoMg2Br8]
_chemical_formula_sum '[Rb1 Ho1 Mg2 Br8]'
_cell_volume [432.3959]
_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
  Ho  Ho1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.4535  0.4479  0.7131  1.0
  Br  Br3  2  0.1862  0.7270  0.2233  1.0
  Br  Br4  2  0.2479  0.7905  0.7884  1.0
  Br  Br5  2  0.2775  0.2444  0.9561  1.0
  Br  Br6  2  0.3555  0.3137  0.5190  1.0
]