data_Zr2MnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   7.47
_cell_angle_alpha   27.16
_cell_angle_beta   27.16
_cell_angle_gamma   27.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnAs
_chemical_formula_sum   'Zr2 Mn1 As1'
_cell_volume   76.57
_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
  Zr  Zr2  1  0.0  0.0  0.17  1.0
  Zr  Zr3  1  0.0  0.0  0.39  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.78  1.0

data_Zr2MnAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.07
_cell_length_b   3.51
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   105.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2MnAs
_chemical_formula_sum   'Zr4 Mn2 As2'
_cell_volume   153.14
_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
  Zr  Zr0  2  -0.0  0.0  0.61  1.0
  Zr  Zr1  2  0.0  0.0  0.83  1.0
  Mn  Mn2  2  0.0  0.0  0.0  1.0
  As  As3  2  0.0  0.0  0.22  1.0

Zr Zr Mn As
Zr Zr Mn As 0 2 o o o 0 1 o o o 2 3 o o - 