data_Ca2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   4.99
_cell_angle_alpha   91.29
_cell_angle_beta   91.29
_cell_angle_gamma   34.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SbSe
_chemical_formula_sum   'Ca2 Sb1 Se1'
_cell_volume   114.79
_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  0.92  0.0  0.38  1.0
  Ca  Ca1  1  0.12  0.0  0.85  1.0
  Sb  Sb2  1  0.94  0.0  0.88  1.0
  Se  Se3  1  0.93  0.0  0.36  1.0

data_Ca2SbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.99
_cell_length_c   6.36
_cell_angle_alpha   91.29
_cell_angle_beta   107.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SbSe
_chemical_formula_sum   'Ca2 Sb1 Se1'
_cell_volume   114.79
_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  0.0  0.38  0.92  1.0
  Ca  Ca1  1  0.0  0.85  0.12  1.0
  Sb  Sb2  1  0.0  0.88  0.94  1.0
  Se  Se3  1  0.0  0.36  0.93  1.0

Ca Ca Sb Se