data_[Mn2Co2Re4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.6965]
_cell_length_b [2.6546]
_cell_length_c [4.5810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnCoRe2]
_chemical_formula_sum '[Mn2 Co2 Re4]'
_cell_volume [104.2690]
_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  2  0.2514  0.5000  0.2527  1
  Co  Co1  2  0.0005  0.5000  0.5039  1
  Re  Re2  2  0.0031  0.0000  0.0156  1
  Re  Re3  2  0.2450  0.0000  0.7278  1
]