data_MnCoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   6.64
_cell_angle_alpha   149.41
_cell_angle_beta   149.41
_cell_angle_gamma   43.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoSe2
_chemical_formula_sum   'Mn1 Co1 Se2'
_cell_volume   75.62
_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  0.75  0.0  0.08  1.0
  Se  Se2  1  0.0  0.75  0.08  1.0
  Se  Se3  1  0.0  0.0  0.16  1.0

data_MnCoSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   6.64
_cell_angle_alpha   105.3
_cell_angle_beta   105.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoSe2
_chemical_formula_sum   'Mn1 Co1 Se2'
_cell_volume   75.62
_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  0.08  0.33  0.33  1.0
  Se  Se2  1  0.16  0.16  0.16  1.0
  Se  Se3  1  0.33  0.08  0.33  1.0

Mn Co Se Se