data_MnCrAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   4.26
_cell_angle_alpha   141.85
_cell_angle_beta   127.87
_cell_angle_gamma   66.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrAs
_chemical_formula_sum   'Mn1 Cr1 As1'
_cell_volume   37.08
_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  0.41  1.0
  Cr  Cr1  1  0.0  0.0  0.72  1.0
  As  As0  1  0.0  0.0  0.12  1.0

data_MnCrAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   3.74
_cell_length_c   4.26
_cell_angle_alpha   116.07
_cell_angle_beta   109.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrAs
_chemical_formula_sum   'Mn1 Cr1 As1'
_cell_volume   37.08
_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  0.41  0.41  1.0
  Cr  Cr1  1  0.0  0.72  0.72  1.0
  As  As2  1  0.0  0.12  0.12  1.0

Mn Cr As
Mn Cr As 0 2 o o o 0 1 o o o 