# generated using pymatgen
data_LuMnBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72475060
_cell_length_b   3.72475052
_cell_length_c   11.61461014
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000922
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuMnBr
_chemical_formula_sum   'Lu2 Mn2 Br2'
_cell_volume   139.54992778
_cell_formula_units_Z   2
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
  Lu  Lu0  1  0.00000000  0.00000000  0.17562860  1.0
  Lu  Lu1  1  0.00000000  0.00000000  0.82437140  1.0
  Mn  Mn2  1  0.66666800  0.33333500  0.00606082  1.0
  Mn  Mn3  1  0.33333300  0.66666600  0.99393918  1.0
  Br  Br4  1  0.33333300  0.66666600  0.33817398  1.0
  Br  Br5  1  0.66666800  0.33333500  0.66182602  1.0