data_MnCrCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   142.1
_cell_angle_beta   126.85
_cell_angle_gamma   67.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrCu2
_chemical_formula_sum   'Mn1 Cr1 Cu2'
_cell_volume   47.12
_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
  Mn  Mn3  1  0.0  0.06  0.18  1.0
  Cr  Cr0  1  0.0  0.0  0.56  1.0
  Cu  Cu1  1  0.0  0.06  0.8  1.0
  Cu  Cu2  1  0.0  0.0  0.96  1.0

data_MnCrCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.12
_cell_length_c   4.6
_cell_angle_alpha   116.57
_cell_angle_beta   108.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrCu2
_chemical_formula_sum   'Mn1 Cr1 Cu2'
_cell_volume   47.12
_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
  Mn  Mn0  1  0.82  0.88  0.88  1.0
  Cr  Cr1  1  0.44  0.44  0.44  1.0
  Cu  Cu2  1  0.04  0.04  0.04  1.0
  Cu  Cu3  1  0.2  0.26  0.26  1.0

Mn Cr Cu Cu