data_KRe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRe2As
_chemical_formula_sum   'K1 Re2 As1'
_cell_volume   74.31
_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
  K  K1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.53  0.0  0.98  1.0
  Re  Re3  1  0.53  0.0  0.89  1.0
  As  As0  1  0.0  0.0  0.94  1.0

data_KRe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRe2As
_chemical_formula_sum   'K1 Re2 As1'
_cell_volume   74.31
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.53  0.0  0.89  1.0
  Re  Re2  1  0.53  0.0  0.98  1.0
  As  As3  1  0.0  0.0  0.94  1.0

K Re Re As