# generated using pymatgen
data_Cs2CaBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67891796
_cell_length_b   5.67891796
_cell_length_c   9.91071454
_cell_angle_alpha   106.64877168
_cell_angle_beta   106.64877168
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2CaBr4
_chemical_formula_sum   'Cs2 Ca1 Br4'
_cell_volume   292.21019786
_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
  Cs  Cs0  1  0.35783660  0.35783660  0.71567320  1.0
  Cs  Cs1  1  0.64216340  0.64216340  0.28432680  1.0
  Ca  Ca2  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Br  Br3  1  0.15967976  0.15967976  0.31935951  1.0
  Br  Br4  1  0.84032024  0.84032024  0.68064049  1.0
  Br  Br5  1  -0.00000000  0.50000000  -0.00000000  1.0
  Br  Br6  1  0.50000000  -0.00000000  -0.00000000  1.0