data_ZrReAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   148.54
_cell_angle_beta   147.88
_cell_angle_gamma   45.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrReAs2
_chemical_formula_sum   'Zr1 Re1 As2'
_cell_volume   71.66
_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  0.0  0.0  0.41  1.0
  Re  Re2  1  0.0  0.76  0.49  1.0
  As  As0  1  0.0  0.76  0.47  1.0
  As  As1  1  0.0  0.0  0.26  1.0

data_ZrReAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.53
_cell_length_c   6.37
_cell_angle_alpha   106.06
_cell_angle_beta   105.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrReAs2
_chemical_formula_sum   'Zr1 Re1 As2'
_cell_volume   71.66
_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  0.0  0.41  0.41  1.0
  Re  Re1  1  0.24  0.73  0.73  1.0
  As  As2  1  0.0  0.26  0.26  1.0
  As  As3  1  0.24  0.71  0.71  1.0

Zr Re As As