data_MnIn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   4.91
_cell_angle_alpha   109.77
_cell_angle_beta   109.77
_cell_angle_gamma   30.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2As
_chemical_formula_sum   'Mn1 In2 As1'
_cell_volume   84.85
_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  Mn3  1  0.27  0.0  0.24  1.0
  In  In1  1  0.83  0.0  0.48  1.0
  In  In2  1  0.61  0.0  0.44  1.0
  As  As0  1  0.99  0.0  0.32  1.0

data_MnIn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.91
_cell_length_c   6.02
_cell_angle_alpha   109.77
_cell_angle_beta   105.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2As
_chemical_formula_sum   'Mn1 In2 As1'
_cell_volume   84.85
_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  0.24  0.27  1.0
  In  In1  1  0.0  0.44  0.61  1.0
  In  In2  1  0.0  0.48  0.83  1.0
  As  As3  1  0.0  0.32  0.99  1.0

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