data_[Li2Mn1Ag1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [6.7154]
_cell_length_b [6.8372]
_cell_length_c [7.2402]
_cell_angle_alpha [65.8251]
_cell_angle_beta [64.3886]
_cell_angle_gamma [62.6195]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2MnAgBr6]
_chemical_formula_sum '[Li2 Mn1 Ag1 Br6]'
_cell_volume [256.8023]
_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
[
  Li  Li0  1  0.0020  0.0053  0.0139  1.0
  Li  Li1  1  0.4814  0.4649  0.5471  1.0
  Mn  Mn2  1  0.6754  0.6687  0.9876  1.0
  Ag  Ag3  1  0.1918  0.1772  0.4548  1.0
  Br  Br4  1  0.0395  0.7608  0.7644  1.0
  Br  Br5  1  0.2965  0.6019  0.2213  1.0
  Br  Br6  1  0.3999  0.0755  0.7474  1.0
  Br  Br7  1  0.6112  0.8813  0.2284  1.0
  Br  Br8  1  0.7521  0.4324  0.7630  1.0
  Br  Br9  1  0.8887  0.2704  0.2569  1.0
]