data_MnCrCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   139.15
_cell_angle_beta   136.91
_cell_angle_gamma   60.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrCu2
_chemical_formula_sum   'Mn1 Cr1 Cu2'
_cell_volume   45.8
_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  0.05  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.72  0.01  1.0
  Cu  Cu2  1  0.64  0.0  0.04  1.0

data_MnCrCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.45
_cell_length_c   4.7
_cell_angle_alpha   111.54
_cell_angle_beta   110.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrCu2
_chemical_formula_sum   'Mn1 Cr1 Cu2'
_cell_volume   45.8
_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  0.95  0.95  0.95  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.6  0.96  0.6  1.0
  Cu  Cu3  1  0.99  0.71  0.71  1.0

Mn Cr Cu Cu