data_[Rb1Mn1Cu1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.6146]
_cell_length_b [6.7292]
_cell_length_c [7.6204]
_cell_angle_alpha [93.8947]
_cell_angle_beta [95.7008]
_cell_angle_gamma [110.2795]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbMnCuBr6]
_chemical_formula_sum '[Rb1 Mn1 Cu1 Br6]'
_cell_volume [314.6882]
_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  0.0306  0.9754  0.9978  1.0
  Mn  Mn1  1  0.6709  0.3322  0.4957  1.0
  Cu  Cu2  1  0.3195  0.6676  0.5076  1.0
  Br  Br3  1  0.3743  0.9979  0.6817  1.0
  Br  Br4  1  0.3806  0.3989  0.3008  1.0
  Br  Br5  1  0.6054  0.6001  0.7041  1.0
  Br  Br6  1  0.6541  0.0450  0.2826  1.0
  Br  Br7  1  0.9743  0.3409  0.7034  1.0
  Br  Br8  1  0.9902  0.6421  0.3262  1.0
]