# generated using pymatgen
data_Ca3SiBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.63032557
_cell_length_b   12.63032557
_cell_length_c   12.63032559
_cell_angle_alpha   20.52926479
_cell_angle_beta   20.52926479
_cell_angle_gamma   20.52926536
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3SiBr2
_chemical_formula_sum   'Ca3 Si1 Br2'
_cell_volume   216.88559520
_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  0.13170700  0.13170700  0.13170700  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca2  1  0.86829300  0.86829300  0.86829300  1.0
  Si  Si3  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br4  1  0.70720800  0.70720800  0.70720800  1.0
  Br  Br5  1  0.29279200  0.29279200  0.29279200  1.0