# generated using pymatgen
data_Ca3SiBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59398728
_cell_length_b   4.59398728
_cell_length_c   12.40004473
_cell_angle_alpha   78.02989352
_cell_angle_beta   78.02989352
_cell_angle_gamma   57.76535301
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3SiBr2
_chemical_formula_sum   'Ca3 Si1 Br2'
_cell_volume   215.06449101
_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  0.81981600  0.81981600  0.50876900  1.0
  Ca  Ca1  1  0.28454500  0.28454500  0.12135600  1.0
  Ca  Ca2  1  0.70624900  0.70624900  0.91036700  1.0
  Si  Si3  1  0.99513900  0.99513900  0.01570500  1.0
  Br  Br4  1  0.44449900  0.44449900  0.63203700  1.0
  Br  Br5  1  0.19475300  0.19475300  0.38776600  1.0