[CIF]
data_CaGaSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03592803
_cell_length_b   4.03592803
_cell_length_c   6.10244994
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaSe2
_chemical_formula_sum   'Ca1 Ga1 Se2'
_cell_volume   99.40106826
_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  2.30651103  1
  Ga  Ga1  1  2.01796401  2.01796401  5.08773078  1
  Se  Se2  1  0.00000000  0.00000000  5.39264305  1
  Se  Se3  1  2.01796401  2.01796401  2.46923999  1
[/CIF]
