data_MnCu2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.67
_cell_angle_alpha   99.84
_cell_angle_beta   99.84
_cell_angle_gamma   37.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCu2As
_chemical_formula_sum   'Mn1 Cu2 As1'
_cell_volume   55.43
_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  0.79  0.0  0.27  1.0
  Cu  Cu1  1  0.56  0.0  0.48  1.0
  Cu  Cu2  1  0.45  0.0  0.51  1.0
  As  As0  1  0.12  0.0  0.22  1.0

data_MnCu2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.45
_cell_length_c   4.67
_cell_angle_alpha   99.84
_cell_angle_beta   90.0
_cell_angle_gamma   108.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCu2As
_chemical_formula_sum   'Mn1 Cu2 As1'
_cell_volume   55.43
_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  0.21  0.73  1.0
  Cu  Cu1  1  0.0  0.44  0.52  1.0
  Cu  Cu2  1  0.0  0.55  0.49  1.0
  As  As3  1  0.0  0.88  0.78  1.0

Mn Cu Cu As