data_MnCoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   147.84
_cell_angle_beta   127.79
_cell_angle_gamma   62.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoOs2
_chemical_formula_sum   'Mn1 Co1 Os2'
_cell_volume   52.38
_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  0.0  0.0  0.28  1.0
  Os  Os2  1  0.0  0.2  0.14  1.0
  Os  Os3  1  0.39  0.0  0.14  1.0

data_MnCoOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.41
_cell_length_c   5.01
_cell_angle_alpha   116.1
_cell_angle_beta   106.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoOs2
_chemical_formula_sum   'Mn1 Co1 Os2'
_cell_volume   52.38
_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  0.72  0.72  0.72  1.0
  Os  Os2  1  0.25  0.86  0.25  1.0
  Os  Os3  1  0.86  0.06  0.06  1.0

Mn Co Os Os