# generated using pymatgen
data_Ca3SiBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.03436201
_cell_length_b   10.03436201
_cell_length_c   10.03436201
_cell_angle_alpha   155.35797936
_cell_angle_beta   155.35797936
_cell_angle_gamma   35.12874575
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3SiBr2
_chemical_formula_sum   'Ca3 Si1 Br2'
_cell_volume   175.44350170
_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
  Ca  Ca1  1  0.64450000  0.64450000  0.00000000  1.0
  Ca  Ca2  1  0.35550000  0.35550000  0.00000000  1.0
  Si  Si3  1  0.50000000  0.50000000  0.00000000  1.0
  Br  Br4  1  0.81420200  0.81420200  0.00000000  1.0
  Br  Br5  1  0.18579800  0.18579800  0.00000000  1.0