data_CrReAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   148.61
_cell_angle_beta   148.25
_cell_angle_gamma   45.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrReAs2
_chemical_formula_sum   'Cr1 Re1 As2'
_cell_volume   62.09
_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
  Cr  Cr2  1  0.0  0.0  0.06  1.0
  Re  Re3  1  0.0  0.67  0.31  1.0
  As  As0  1  0.0  0.0  0.87  1.0
  As  As1  1  0.65  0.0  0.28  1.0

data_CrReAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   3.34
_cell_length_c   6.1
_cell_angle_alpha   105.88
_cell_angle_beta   105.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrReAs2
_chemical_formula_sum   'Cr1 Re1 As2'
_cell_volume   62.09
_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
  Cr  Cr0  1  0.0  0.06  0.06  1.0
  Re  Re1  1  0.33  0.64  0.64  1.0
  As  As2  1  0.0  0.28  0.63  1.0
  As  As3  1  0.0  0.87  0.87  1.0

Cr Re As As