[CIF]
data_CaSnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98655454
_cell_length_b   3.98655454
_cell_length_c   6.40486549
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSnSe
_chemical_formula_sum   'Ca1 Sn1 Se1'
_cell_volume   88.15279044
_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  0.30459664  1
  Se  Se1  1  -0.00000000  2.30163833  2.01709543  1
  Sn  Sn2  1  1.99327727  1.15081917  4.08317342  1
[/CIF]
