data_[K1Mn1Ag2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9079]
_cell_length_b [7.3127]
_cell_length_c [8.1054]
_cell_angle_alpha [79.7938]
_cell_angle_beta [66.6422]
_cell_angle_gamma [64.0734]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KMn(AgBr3)2]
_chemical_formula_sum '[K1 Mn1 Ag2 Br6]'
_cell_volume [338.0538]
_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
[
  K  K0  1  0.2100  0.2919  0.4342  1.0
  Mn  Mn1  1  0.6890  0.6594  0.9652  1.0
  Ag  Ag2  1  0.0397  0.0083  0.9848  1.0
  Ag  Ag3  1  0.3244  0.3331  0.8860  1.0
  Br  Br4  1  0.0441  0.6665  0.7269  1.0
  Br  Br5  1  0.3086  0.6926  0.1813  1.0
  Br  Br6  1  0.4378  0.9865  0.7241  1.0
  Br  Br7  1  0.6594  0.9361  0.1254  1.0
  Br  Br8  1  0.7055  0.4032  0.7896  1.0
  Br  Br9  1  0.9198  0.3607  0.1673  1.0
]