# generated using pymatgen
data_CaSm6CoBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24630412
_cell_length_b   9.24630423
_cell_length_c   9.24630366
_cell_angle_alpha   106.59200526
_cell_angle_beta   106.59199930
_cell_angle_gamma   106.59199501
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSm6CoBr12
_chemical_formula_sum   'Ca1 Sm6 Co1 Br12'
_cell_volume   665.53121079
_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  0.50000000  0.50000000  0.50000000  1.0
  Sm  Sm1  1  0.97542422  0.89431172  0.68978138  1.0
  Sm  Sm2  1  0.02457578  0.10568828  0.31021862  1.0
  Sm  Sm3  1  0.10568828  0.31021862  0.02457578  1.0
  Sm  Sm4  1  0.31021862  0.02457578  0.10568828  1.0
  Sm  Sm5  1  0.89431172  0.68978138  0.97542422  1.0
  Sm  Sm6  1  0.68978138  0.97542422  0.89431172  1.0
  Co  Co7  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br8  1  0.53817605  0.62180040  0.84084355  1.0
  Br  Br9  1  0.46182395  0.37819960  0.15915645  1.0
  Br  Br10  1  0.32078794  0.92781964  0.77774841  1.0
  Br  Br11  1  0.37819960  0.15915645  0.46182395  1.0
  Br  Br12  1  0.92781964  0.77774841  0.32078794  1.0
  Br  Br13  1  0.67921206  0.07218036  0.22225159  1.0
  Br  Br14  1  0.07218036  0.22225159  0.67921206  1.0
  Br  Br15  1  0.77774841  0.32078794  0.92781964  1.0
  Br  Br16  1  0.22225159  0.67921206  0.07218036  1.0
  Br  Br17  1  0.84084355  0.53817605  0.62180040  1.0
  Br  Br18  1  0.15915645  0.46182395  0.37819960  1.0
  Br  Br19  1  0.62180040  0.84084355  0.53817605  1.0