data_CaMnCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   3.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnCo
_chemical_formula_sum   'Ca1 Mn1 Co1'
_cell_volume   57.28
_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
  Ca  Ca0  1  0.0  0.0  0.84  1.0
  Mn  Mn2  1  0.0  0.39  0.88  1.0
  Co  Co1  1  0.07  0.2  0.97  1.0

data_CaMnCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.15
_cell_length_c   4.15
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnCo
_chemical_formula_sum   'Ca1 Mn1 Co1'
_cell_volume   57.28
_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
  Ca  Ca0  1  0.84  0.0  0.0  1.0
  Mn  Mn1  1  0.88  0.0  0.39  1.0
  Co  Co2  1  0.97  0.07  0.2  1.0

Ca Mn Co
Ca Mn Co 0 2 o o o 1 2 o o o 