data_YMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   34.85
_cell_angle_beta   34.85
_cell_angle_gamma   34.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMoAs2
_chemical_formula_sum   'Y1 Mo1 As2'
_cell_volume   81.17
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.19  1.0
  As  As0  1  0.0  0.0  0.99  1.0
  As  As1  1  0.0  0.0  0.39  1.0

data_YMoAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.77
_cell_length_b   3.91
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   110.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YMoAs2
_chemical_formula_sum   'Y2 Mo2 As4'
_cell_volume   162.33
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Mo  Mo1  2  0.0  0.0  0.81  1.0
  As  As2  2  0.0  0.0  0.01  1.0
  As  As3  2  0.0  0.0  0.61  1.0

Y Mo As As
Y Mo As As 0 2 o o - 0 1 o o o 1 2 o o - 1 3 o o o 