# generated using pymatgen
data_Ca3SiBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.95369778
_cell_length_b   11.95369778
_cell_length_c   11.95369785
_cell_angle_alpha   20.12467052
_cell_angle_beta   20.12467052
_cell_angle_gamma   20.12466934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3SiBr2
_chemical_formula_sum   'Ca3 Si1 Br2'
_cell_volume   176.91181445
_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  0.45119700  0.45119700  0.45119700  1.0
  Ca  Ca1  1  0.57328900  0.57328900  0.57328900  1.0
  Ca  Ca2  1  0.99879000  0.99879000  0.99879000  1.0
  Si  Si3  1  0.28596800  0.28596800  0.28596800  1.0
  Br  Br4  1  0.84096700  0.84096700  0.84096700  1.0
  Br  Br5  1  0.72878900  0.72878900  0.72878900  1.0