data_BaMnCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   6.18
_cell_angle_alpha   102.64
_cell_angle_beta   102.64
_cell_angle_gamma   56.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnCo2
_chemical_formula_sum   'Ba1 Mn1 Co2'
_cell_volume   84.12
_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
  Ba  Ba0  1  0.05  0.0  0.49  1.0
  Mn  Mn3  1  0.03  0.0  0.31  1.0
  Co  Co1  1  0.54  0.0  0.86  1.0
  Co  Co2  1  0.68  0.0  0.31  1.0

data_BaMnCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   4.11
_cell_length_c   6.18
_cell_angle_alpha   102.64
_cell_angle_beta   90.0
_cell_angle_gamma   118.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnCo2
_chemical_formula_sum   'Ba1 Mn1 Co2'
_cell_volume   84.12
_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
  Ba  Ba0  1  0.0  0.95  0.51  1.0
  Mn  Mn1  1  0.0  0.97  0.69  1.0
  Co  Co2  1  0.0  0.32  0.69  1.0
  Co  Co3  1  0.0  0.46  0.14  1.0

Ba Mn Co Co