data_ReMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   2.99
_cell_angle_alpha   105.79
_cell_angle_beta   105.79
_cell_angle_gamma   107.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReMoAs2
_chemical_formula_sum   'Re1 Mo1 As2'
_cell_volume   64.59
_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
  Re  Re3  1  0.99  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.81  0.97  0.33  1.0
  As  As1  1  0.81  0.03  0.33  1.0

data_ReMoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   107.18
_cell_angle_beta   105.79
_cell_angle_gamma   105.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReMoAs2
_chemical_formula_sum   'Re1 Mo1 As2'
_cell_volume   64.59
_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
  Re  Re0  1  0.0  0.99  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.33  0.81  0.03  1.0
  As  As3  1  0.33  0.81  0.97  1.0

Re Mo As As