data_[Mn3Te2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8173]
_cell_length_b [8.2773]
_cell_length_c [18.3496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Mn3(TeBr)2]
_chemical_formula_sum '[Mn3 Te2 Br2]'
_cell_volume [579.7883]
_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
[
  Mn  Mn0  2  0.0000  0.1917  0.4831  1
  Mn  Mn1  1  0.5000  0.5000  0.5200  1
  Te  Te2  1  0.0000  0.5000  0.4163  1
  Te  Te3  1  0.5000  0.0000  0.4108  1
  Br  Br4  2  0.5000  0.2420  0.5933  1
]