data_MnCoRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.63
_cell_angle_alpha   99.81
_cell_angle_beta   99.81
_cell_angle_gamma   34.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoRe2
_chemical_formula_sum   'Mn1 Co1 Re2'
_cell_volume   52.35
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.89  0.0  0.28  1.0
  Re  Re2  1  0.53  0.0  0.42  1.0
  Re  Re3  1  0.25  0.0  0.14  1.0

data_MnCoRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.51
_cell_length_c   4.63
_cell_angle_alpha   99.81
_cell_angle_beta   90.0
_cell_angle_gamma   107.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoRe2
_chemical_formula_sum   'Mn1 Co1 Re2'
_cell_volume   52.35
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.11  0.72  1.0
  Re  Re2  1  0.0  0.47  0.58  1.0
  Re  Re3  1  0.0  0.75  0.86  1.0

Mn Co Re Re
Mn Co Re Re 0 3 o o o 0 1 - o o 1 2 o o o 2 3 o o o 