data_ZrAsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   41.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAsSe2
_chemical_formula_sum   'Zr1 As1 Se2'
_cell_volume   84.59
_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
  Zr  Zr3  1  0.4  0.0  0.73  1.0
  As  As0  1  0.0  0.0  0.76  1.0
  Se  Se1  1  0.4  0.0  0.45  1.0
  Se  Se2  1  0.0  0.0  0.46  1.0

data_ZrAsSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.8
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   110.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAsSe2
_chemical_formula_sum   'Zr1 As1 Se2'
_cell_volume   84.59
_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
  Zr  Zr0  1  0.27  0.4  0.27  1.0
  As  As1  1  0.24  0.0  0.24  1.0
  Se  Se2  1  0.54  0.0  0.54  1.0
  Se  Se3  1  0.55  0.4  0.55  1.0

Zr As Se Se
Zr As Se Se 0 2 o o o 1 3 o o o 