data_ZrMn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   4.06
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   104.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn2As
_chemical_formula_sum   'Zr1 Mn2 As1'
_cell_volume   62.26
_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  Zr3  1  0.03  0.03  0.54  1.0
  Mn  Mn1  1  0.36  0.03  0.17  1.0
  Mn  Mn2  1  0.32  0.0  0.79  1.0
  As  As0  1  0.42  0.0  0.52  1.0

data_ZrMn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.06
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   104.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn2As
_chemical_formula_sum   'Zr1 Mn2 As1'
_cell_volume   62.26
_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  Zr0  1  0.03  0.03  0.54  1.0
  Mn  Mn1  1  0.32  0.0  0.79  1.0
  Mn  Mn2  1  0.36  0.03  0.17  1.0
  As  As3  1  0.42  0.0  0.52  1.0

Zr Mn Mn As