# generated using pymatgen
data_CaHo6FeBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02833522
_cell_length_b   9.02833580
_cell_length_c   9.02833605
_cell_angle_alpha   106.65263433
_cell_angle_beta   106.65263917
_cell_angle_gamma   106.65262375
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHo6FeBr12
_chemical_formula_sum   'Ca1 Ho6 Fe1 Br12'
_cell_volume   618.58618657
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Ho  Ho1  1  0.80479997  0.52195748  0.59970411  1.0
  Ho  Ho2  1  0.52195748  0.59970411  0.80479997  1.0
  Ho  Ho3  1  0.19520003  0.47804252  0.40029589  1.0
  Ho  Ho4  1  0.47804252  0.40029589  0.19520003  1.0
  Ho  Ho5  1  0.59970411  0.80479997  0.52195748  1.0
  Ho  Ho6  1  0.40029589  0.19520003  0.47804252  1.0
  Fe  Fe7  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br8  1  0.72271031  0.17751457  0.57318114  1.0
  Br  Br9  1  0.95554895  0.87497363  0.65038266  1.0
  Br  Br10  1  0.57318114  0.72271031  0.17751457  1.0
  Br  Br11  1  0.12502637  0.34961734  0.04445105  1.0
  Br  Br12  1  0.65038266  0.95554895  0.87497363  1.0
  Br  Br13  1  0.87497363  0.65038266  0.95554895  1.0
  Br  Br14  1  0.04445105  0.12502637  0.34961734  1.0
  Br  Br15  1  0.82248543  0.42681886  0.27728969  1.0
  Br  Br16  1  0.34961734  0.04445105  0.12502637  1.0
  Br  Br17  1  0.27728969  0.82248543  0.42681886  1.0
  Br  Br18  1  0.17751457  0.57318114  0.72271031  1.0
  Br  Br19  1  0.42681886  0.27728969  0.82248543  1.0