data_[Mn4Cu2Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6018]
_cell_length_b [2.5835]
_cell_length_c [4.5732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2CuRe]
_chemical_formula_sum '[Mn4 Cu2 Re2]'
_cell_volume [100.6116]
_cell_formula_units_Z [2]
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
[
  Mn  Mn0  4  0.2472  0.0000  0.2429  1
  Re  Re1  2  0.0000  0.0000  0.5000  1
  Cu  Cu2  2  0.0000  0.5000  0.0000  1
]