data_Mn2CoCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   4.27
_cell_angle_alpha   130.93
_cell_angle_beta   130.93
_cell_angle_gamma   71.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoCu
_chemical_formula_sum   'Mn2 Co1 Cu1'
_cell_volume   43.53
_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  Mn2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.77  0.0  0.73  1.0
  Co  Co0  1  0.0  0.0  0.46  1.0
  Cu  Cu1  1  0.0  0.77  0.73  1.0

data_Mn2CoCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   4.27
_cell_angle_alpha   114.54
_cell_angle_beta   114.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoCu
_chemical_formula_sum   'Mn2 Co1 Cu1'
_cell_volume   43.53
_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
  Mn  Mn1  1  0.27  0.0  0.05  1.0
  Co  Co2  1  0.54  0.0  0.54  1.0
  Cu  Cu3  1  0.05  0.77  0.05  1.0

Mn Mn Co Cu
Mn Mn Co Cu 0 1 - o - 0 3 o - - 0 2 o o o 1 2 + o o 2 3 o - o 