data_ZrMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   5.91
_cell_angle_alpha   105.64
_cell_angle_beta   105.64
_cell_angle_gamma   51.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMoAs2
_chemical_formula_sum   'Zr1 Mo1 As2'
_cell_volume   73.87
_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  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.8  0.0  0.82  1.0
  As  As0  1  0.54  0.0  0.07  1.0
  As  As1  1  0.06  0.0  0.56  1.0

data_ZrMoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.09
_cell_length_c   5.91
_cell_angle_alpha   105.64
_cell_angle_beta   90.0
_cell_angle_gamma   115.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMoAs2
_chemical_formula_sum   'Zr1 Mo1 As2'
_cell_volume   73.87
_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  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.2  0.18  1.0
  As  As2  1  0.0  0.46  0.93  1.0
  As  As3  1  0.0  0.94  0.44  1.0

Zr Mo As As