data_MnCo2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   4.31
_cell_angle_alpha   131.4
_cell_angle_beta   131.4
_cell_angle_gamma   71.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo2Cu
_chemical_formula_sum   'Mn1 Co2 Cu1'
_cell_volume   44.1
_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  Mn3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.77  0.0  0.75  1.0
  Co  Co1  1  0.0  0.77  0.75  1.0
  Cu  Cu2  1  0.0  0.0  0.5  1.0

data_MnCo2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   4.31
_cell_angle_alpha   90.0
_cell_angle_beta   125.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCo2Cu
_chemical_formula_sum   'Mn2 Co4 Cu2'
_cell_volume   88.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Co  Co1  4  0.13  0.11  0.02  1.0
  Cu  Cu2  2  0.5  0.0  0.5  1.0

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