data_ReMo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   2.87
_cell_angle_alpha   99.42
_cell_angle_beta   99.42
_cell_angle_gamma   110.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReMo2As
_chemical_formula_sum   'Re1 Mo2 As1'
_cell_volume   62.43
_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  0.8  0.0  0.0  1.0
  Mo  Mo1  1  0.98  0.03  0.37  1.0
  Mo  Mo2  1  0.98  0.97  0.37  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_ReMo2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   110.94
_cell_angle_beta   99.42
_cell_angle_gamma   99.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReMo2As
_chemical_formula_sum   'Re1 Mo2 As1'
_cell_volume   62.43
_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  0.8  0.0  1.0
  Mo  Mo1  1  0.37  0.98  0.03  1.0
  Mo  Mo2  1  0.37  0.98  0.97  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Re Mo Mo As