data_[Re1Mo2Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Mo  2.1600  1.4500  0.7750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9341]
_cell_length_b [4.2441]
_cell_length_c [5.1935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ReMo2Se]
_chemical_formula_sum '[Re1 Mo2 Se1]'
_cell_volume [63.2529]
_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  0.3738  0.0000  0.4869  1
  Mo  Mo1  1  0.7063  0.5000  0.2566  1
  Mo  Mo2  1  0.9927  0.0000  0.9901  1
  Se  Se3  1  0.4272  0.5000  0.7664  1
]